2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide

C10H13BrN2O2S3 — CID 62957127

IUPAC2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H13BrN2O2S3/c11-7-4-5-17-10(7)18(14,15)13-8-3-1-2-6(8)9(12)16/h4-6,8,13H,1-3H2,(H2,12,16)
InChIKeyNIPUWNXVFPNXBU-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.24
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide

2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide (PubChem CID 62957127) has the molecular formula C10H13BrN2O2S3 and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
PubChem CID62957127
Molecular FormulaC10H13BrN2O2S3
Molecular Weight369.33 g/mol
Exact Mass367.93
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
SMILESNC(=S)C1CCCC1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H13BrN2O2S3/c11-7-4-5-17-10(7)18(14,15)13-8-3-1-2-6(8)9(12)16/h4-6,8,13H,1-3H2,(H2,12,16)
InChIKeyNIPUWNXVFPNXBU-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
CID 103835912
3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
CID 114297371
2-[(3-bromothiophen-2-yl)sulfonylamino]-2-cyclohexylethanethioamide
CID 61458044
3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide
CID 62408848
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957295
2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957301
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900
2-(cyclopropylsulfonylamino)cyclopentane-1-carbothioamide
CID 64553686
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 107327667
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244
2-(2-methylsulfonylethylsulfonylamino)cyclopentane-1-carbothioamide
CID 63243310
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide (CID 62957127) is 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide is NC(=S)C1CCCC1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide?
The InChIKey is NIPUWNXVFPNXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S3/c11-7-4-5-17-10(7)18(14,15)13-8-3-1-2-6(8)9(12)16/h4-6,8,13H,1-3H2,(H2,12,16).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide?
2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide has a molecular weight of 369.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).