[1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate

C26H40N4O3S — CID 139547433

IUPAC[1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate
SMILESCCC1CCC(N2CCC(n3cc(CN4CCCC4)c4cc(OS(N)(=O)=O)ccc43)CC2)CC1
InChIInChI=1S/C26H40N4O3S/c1-2-20-5-7-22(8-6-20)29-15-11-23(12-16-29)30-19-21(18-28-13-3-4-14-28)25-17-24(9-10-26(25)30)33-34(27,31)32/h9-10,17,19-20,22-23H,2-8,11-16,18H2,1H3,(H2,27,31,32)
InChIKeyXNYADQHHWYGZRG-UHFFFAOYSA-N
MW488.70 g/mol
LogP4.43
Rot. Bonds7

About [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate

[1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate (PubChem CID 139547433) has the molecular formula C26H40N4O3S and a molecular weight of 488.70 g/mol. Its IUPAC name is [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate.

Molecular Properties

Compound Name[1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate
PubChem CID139547433
Molecular FormulaC26H40N4O3S
Molecular Weight488.70 g/mol
Exact Mass488.28
IUPAC Name[1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate
SMILESCCC1CCC(N2CCC(n3cc(CN4CCCC4)c4cc(OS(N)(=O)=O)ccc43)CC2)CC1
InChIInChI=1S/C26H40N4O3S/c1-2-20-5-7-22(8-6-20)29-15-11-23(12-16-29)30-19-21(18-28-13-3-4-14-28)25-17-24(9-10-26(25)30)33-34(27,31)32/h9-10,17,19-20,22-23H,2-8,11-16,18H2,1H3,(H2,27,31,32)
InChIKeyXNYADQHHWYGZRG-UHFFFAOYSA-N
XLogP4.43
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.70
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate with MolForge

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Related Compounds

[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate
CID 134563569
[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate
CID 139331775
2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
CID 134563338
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
1-(1-benzylpiperidin-4-yl)-3-ethylindole
CID 135053599
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
CID 161170401
3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
CID 134563411
3-bromo-1-cyclopropyl-5-methoxyindole
CID 115049436
4-bromo-3-[(4-ethylpiperidin-1-yl)methyl]aniline
CID 113281299
1-[[5-cyclopentyloxy-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108061
1-[1-[(2-chloro-4-phenoxyphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 167845906

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate?
The IUPAC name of [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate (CID 139547433) is [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate.
What is the SMILES notation for [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate?
The canonical SMILES for [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate is CCC1CCC(N2CCC(n3cc(CN4CCCC4)c4cc(OS(N)(=O)=O)ccc43)CC2)CC1.
What is the InChIKey of [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate?
The InChIKey is XNYADQHHWYGZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3S/c1-2-20-5-7-22(8-6-20)29-15-11-23(12-16-29)30-19-21(18-28-13-3-4-14-28)25-17-24(9-10-26(25)30)33-34(27,31)32/h9-10,17,19-20,22-23H,2-8,11-16,18H2,1H3,(H2,27,31,32).
What are the key properties of [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate?
[1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate has a molecular weight of 488.70 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate is sourced from PubChem (CID 139547433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).