4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide

C7H13N3O4S3 — CID 61299780

IUPAC4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C7H13N3O4S3/c1-16(11,12)9-2-3-10-17(13,14)7-4-6(8)5-15-7/h4-5,9-10H,2-3,8H2,1H3
InChIKeyYPSAYYAHJUTCCU-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.84
Rot. Bonds6

About 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide

4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide (PubChem CID 61299780) has the molecular formula C7H13N3O4S3 and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
PubChem CID61299780
Molecular FormulaC7H13N3O4S3
Molecular Weight299.40 g/mol
Exact Mass299.01
IUPAC Name4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C7H13N3O4S3/c1-16(11,12)9-2-3-10-17(13,14)7-4-6(8)5-15-7/h4-5,9-10H,2-3,8H2,1H3
InChIKeyYPSAYYAHJUTCCU-UHFFFAOYSA-N
XLogP-0.84
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61301299
4-amino-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 63226058
4-amino-N-(2-butoxyethyl)thiophene-2-sulfonamide
CID 61301356
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106425735
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
CID 114132852
4-amino-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61299000
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
4-amino-N-[2-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 61300006
5-methylsulfonylthiophen-3-amine
CID 83482061
4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 107843596
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64518781
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61301349

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide (CID 61299780) is 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide is CS(=O)(=O)NCCNS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide?
The InChIKey is YPSAYYAHJUTCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S3/c1-16(11,12)9-2-3-10-17(13,14)7-4-6(8)5-15-7/h4-5,9-10H,2-3,8H2,1H3.
What are the key properties of 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide?
4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61299780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).