[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate

C25H38N4O4S — CID 134563649

IUPAC[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate
SMILESCON=Cc1c(COS(N)(=O)=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc12
InChIInChI=1S/C25H38N4O4S/c1-18(2)19-8-10-20(11-9-19)28-14-12-21(13-15-28)29-24-7-5-4-6-22(24)23(16-27-32-3)25(29)17-33-34(26,30)31/h4-7,16,18-21H,8-15,17H2,1-3H3,(H2,26,30,31)
InChIKeyWOVMJQIHQZFJKD-UHFFFAOYSA-N
MW490.67 g/mol
LogP4.19
Rot. Bonds8

About [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate

[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate (PubChem CID 134563649) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate.

Molecular Properties

Compound Name[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate
PubChem CID134563649
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC Name[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate
SMILESCON=Cc1c(COS(N)(=O)=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc12
InChIInChI=1S/C25H38N4O4S/c1-18(2)19-8-10-20(11-9-19)28-14-12-21(13-15-28)29-24-7-5-4-6-22(24)23(16-27-32-3)25(29)17-33-34(26,30)31/h4-7,16,18-21H,8-15,17H2,1-3H3,(H2,26,30,31)
InChIKeyWOVMJQIHQZFJKD-UHFFFAOYSA-N
XLogP4.19
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol
CID 134563523
[3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563416
2-[3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]ethyl 2,2-dimethylpropanoate
CID 134578307
[5-fluoro-3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 139547536
[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-2-yl] N-methylcarbamate
CID 134563401
[5-fluoro-3-(hydroxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563451
[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 135367933
benzyl N-[[3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]carbamate
CID 139547532
[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate
CID 134563569
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785
6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide
CID 155542684
3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
CID 161170401

Frequently Asked Questions

What is the IUPAC name of [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate?
The IUPAC name of [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate (CID 134563649) is [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate.
What is the SMILES notation for [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate?
The canonical SMILES for [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate is CON=Cc1c(COS(N)(=O)=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc12.
What is the InChIKey of [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate?
The InChIKey is WOVMJQIHQZFJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-18(2)19-8-10-20(11-9-19)28-14-12-21(13-15-28)29-24-7-5-4-6-22(24)23(16-27-32-3)25(29)17-33-34(26,30)31/h4-7,16,18-21H,8-15,17H2,1-3H3,(H2,26,30,31).
What are the key properties of [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate?
[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate has a molecular weight of 490.67 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate is sourced from PubChem (CID 134563649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).