3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide

C11H16BrNO3S2 — CID 61072375

IUPAC3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOCC1CC1)c1sccc1Br
InChIInChI=1S/C11H16BrNO3S2/c12-10-4-7-17-11(10)18(14,15)13-5-1-6-16-8-9-2-3-9/h4,7,9,13H,1-3,5-6,8H2
InChIKeyHZSJMTQGCXNFNB-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.61
Rot. Bonds8

About 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide

3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide (PubChem CID 61072375) has the molecular formula C11H16BrNO3S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
PubChem CID61072375
Molecular FormulaC11H16BrNO3S2
Molecular Weight354.29 g/mol
Exact Mass352.98
IUPAC Name3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOCC1CC1)c1sccc1Br
InChIInChI=1S/C11H16BrNO3S2/c12-10-4-7-17-11(10)18(14,15)13-5-1-6-16-8-9-2-3-9/h4,7,9,13H,1-3,5-6,8H2
InChIKeyHZSJMTQGCXNFNB-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
CID 106304866
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
N-[2-(3-aminophenoxy)ethyl]-3-bromothiophene-2-sulfonamide
CID 61458147
N-[3-(cyclopropylmethoxy)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 38257447
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
CID 60779783
3-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 103834752

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide (CID 61072375) is 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide is O=S(=O)(NCCCOCC1CC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide?
The InChIKey is HZSJMTQGCXNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S2/c12-10-4-7-17-11(10)18(14,15)13-5-1-6-16-8-9-2-3-9/h4,7,9,13H,1-3,5-6,8H2.
What are the key properties of 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide?
3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide has a molecular weight of 354.29 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61072375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).