4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide

C10H17ClN2O2S2 — CID 106003944

IUPAC4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCN)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-8(9-4-5-10(11)16-9)13-17(14,15)7-3-2-6-12/h4-5,8,13H,2-3,6-7,12H2,1H3
InChIKeyAAYKBARYLGPIPW-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.12
Rot. Bonds7

About 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide

4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide (PubChem CID 106003944) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide
PubChem CID106003944
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCN)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-8(9-4-5-10(11)16-9)13-17(14,15)7-3-2-6-12/h4-5,8,13H,2-3,6-7,12H2,1H3
InChIKeyAAYKBARYLGPIPW-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334
3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
CID 97353451
4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 54958432
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
CID 102676201
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 61468700
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 55627830

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide (CID 106003944) is 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide is CC(NS(=O)(=O)CCCCN)c1ccc(Cl)s1.
What is the InChIKey of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide?
The InChIKey is AAYKBARYLGPIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-8(9-4-5-10(11)16-9)13-17(14,15)7-3-2-6-12/h4-5,8,13H,2-3,6-7,12H2,1H3.
What are the key properties of 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide?
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide has a molecular weight of 296.85 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 106003944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).