3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide

C18H27N3O2S — CID 175896340

IUPAC3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide
SMILESCc1cccc2ccn(C3CCC(NS(=O)(=O)CCCN)CC3)c12
InChIInChI=1S/C18H27N3O2S/c1-14-4-2-5-15-10-12-21(18(14)15)17-8-6-16(7-9-17)20-24(22,23)13-3-11-19/h2,4-5,10,12,16-17,20H,3,6-9,11,13,19H2,1H3
InChIKeyRTYHHTFGXADZQM-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.70
Rot. Bonds6

About 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide

3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide (PubChem CID 175896340) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide
PubChem CID175896340
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide
SMILESCc1cccc2ccn(C3CCC(NS(=O)(=O)CCCN)CC3)c12
InChIInChI=1S/C18H27N3O2S/c1-14-4-2-5-15-10-12-21(18(14)15)17-8-6-16(7-9-17)20-24(22,23)13-3-11-19/h2,4-5,10,12,16-17,20H,3,6-9,11,13,19H2,1H3
InChIKeyRTYHHTFGXADZQM-UHFFFAOYSA-N
XLogP2.70
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide (CID 175896340) is 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide is Cc1cccc2ccn(C3CCC(NS(=O)(=O)CCCN)CC3)c12.
What is the InChIKey of 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is RTYHHTFGXADZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-4-2-5-15-10-12-21(18(14)15)17-8-6-16(7-9-17)20-24(22,23)13-3-11-19/h2,4-5,10,12,16-17,20H,3,6-9,11,13,19H2,1H3.
What are the key properties of 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide?
3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 349.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(7-methylindol-1-yl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 175896340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).