N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine

C17H29N3O2S2 — CID 110622492

IUPACN-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine
SMILESO=S(=O)(NCC(c1cccs1)N1CCCCCC1)NC1CCCC1
InChIInChI=1S/C17H29N3O2S2/c21-24(22,19-15-8-3-4-9-15)18-14-16(17-10-7-13-23-17)20-11-5-1-2-6-12-20/h7,10,13,15-16,18-19H,1-6,8-9,11-12,14H2
InChIKeyDGLAYZUHTIHLTI-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.03
Rot. Bonds7

About N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine

N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine (PubChem CID 110622492) has the molecular formula C17H29N3O2S2 and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine
PubChem CID110622492
Molecular FormulaC17H29N3O2S2
Molecular Weight371.57 g/mol
Exact Mass371.17
IUPAC NameN-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine
SMILESO=S(=O)(NCC(c1cccs1)N1CCCCCC1)NC1CCCC1
InChIInChI=1S/C17H29N3O2S2/c21-24(22,19-15-8-3-4-9-15)18-14-16(17-10-7-13-23-17)20-11-5-1-2-6-12-20/h7,10,13,15-16,18-19H,1-6,8-9,11-12,14H2
InChIKeyDGLAYZUHTIHLTI-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzene-1,4-disulfonamide
CID 55434495
2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 78786892
N-(2-thiophen-2-ylethylsulfamoyl)cyclohexanamine
CID 110675833
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentanamine
CID 167947795
4-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 78786890
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide
CID 134057481
1-methyl-4-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 129415210
N-cyclohexyl-2-[[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111012024
ethyl (3S)-1-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]piperidine-3-carboxylate
CID 100900733
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
1-propylsulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 134057497

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine?
The IUPAC name of N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine (CID 110622492) is N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine.
What is the SMILES notation for N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine?
The canonical SMILES for N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine is O=S(=O)(NCC(c1cccs1)N1CCCCCC1)NC1CCCC1.
What is the InChIKey of N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine?
The InChIKey is DGLAYZUHTIHLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S2/c21-24(22,19-15-8-3-4-9-15)18-14-16(17-10-7-13-23-17)20-11-5-1-2-6-12-20/h7,10,13,15-16,18-19H,1-6,8-9,11-12,14H2.
What are the key properties of N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine?
N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine has a molecular weight of 371.57 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-2-thiophen-2-ylethyl]sulfamoyl]cyclopentanamine is sourced from PubChem (CID 110622492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).