[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate

C24H38N4O3S — CID 134563569

IUPAC[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate
SMILESCC(C)C1CCC(N2CCC(n3cc(CCN)c4cc(OS(N)(=O)=O)ccc43)CC2)CC1
InChIInChI=1S/C24H38N4O3S/c1-17(2)18-3-5-20(6-4-18)27-13-10-21(11-14-27)28-16-19(9-12-25)23-15-22(7-8-24(23)28)31-32(26,29)30/h7-8,15-18,20-21H,3-6,9-14,25H2,1-2H3,(H2,26,29,30)
InChIKeyDNFKNRUUXMXJNJ-UHFFFAOYSA-N
MW462.66 g/mol
LogP3.58
Rot. Bonds7

About [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate

[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate (PubChem CID 134563569) has the molecular formula C24H38N4O3S and a molecular weight of 462.66 g/mol. Its IUPAC name is [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate.

Molecular Properties

Compound Name[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate
PubChem CID134563569
Molecular FormulaC24H38N4O3S
Molecular Weight462.66 g/mol
Exact Mass462.27
IUPAC Name[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate
SMILESCC(C)C1CCC(N2CCC(n3cc(CCN)c4cc(OS(N)(=O)=O)ccc43)CC2)CC1
InChIInChI=1S/C24H38N4O3S/c1-17(2)18-3-5-20(6-4-18)27-13-10-21(11-14-27)28-16-19(9-12-25)23-15-22(7-8-24(23)28)31-32(26,29)30/h7-8,15-18,20-21H,3-6,9-14,25H2,1-2H3,(H2,26,29,30)
InChIKeyDNFKNRUUXMXJNJ-UHFFFAOYSA-N
XLogP3.58
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate with MolForge

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Related Compounds

2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
CID 134563338
[1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate
CID 139547433
3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
CID 161170401
6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide
CID 155542684
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate
CID 139331762
3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
CID 134563411
[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate
CID 134563649
[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine
CID 134578491
2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
CID 115037881
[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 135367933
3-(1-cyclopropyl-6-methylindol-3-yl)propan-1-amine
CID 115036861

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate?
The IUPAC name of [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate (CID 134563569) is [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate.
What is the SMILES notation for [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate?
The canonical SMILES for [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate is CC(C)C1CCC(N2CCC(n3cc(CCN)c4cc(OS(N)(=O)=O)ccc43)CC2)CC1.
What is the InChIKey of [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate?
The InChIKey is DNFKNRUUXMXJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3S/c1-17(2)18-3-5-20(6-4-18)27-13-10-21(11-14-27)28-16-19(9-12-25)23-15-22(7-8-24(23)28)31-32(26,29)30/h7-8,15-18,20-21H,3-6,9-14,25H2,1-2H3,(H2,26,29,30).
What are the key properties of [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate?
[3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate has a molecular weight of 462.66 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-5-yl] sulfamate is sourced from PubChem (CID 134563569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).