4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide

C9H16N2O2S3 — CID 112656690

IUPAC4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H16N2O2S3/c1-7(5-14-3)11(2)16(12,13)9-4-8(10)6-15-9/h4,6-7H,5,10H2,1-3H3
InChIKeyPKEXUQQBXYPDPH-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.70
Rot. Bonds5

About 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide

4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 112656690) has the molecular formula C9H16N2O2S3 and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID112656690
Molecular FormulaC9H16N2O2S3
Molecular Weight280.44 g/mol
Exact Mass280.04
IUPAC Name4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H16N2O2S3/c1-7(5-14-3)11(2)16(12,13)9-4-8(10)6-15-9/h4,6-7H,5,10H2,1-3H3
InChIKeyPKEXUQQBXYPDPH-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115988546
4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61299968
4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 61300540
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 103187456
5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112656684
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
4-amino-N,N-dibutylthiophene-2-sulfonamide
CID 61301508
4-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 61301534
4-amino-N-[2-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 61300006
4-amino-N-cyclohexyl-N-methylthiophene-2-sulfonamide
CID 61300333
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61299784

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide (CID 112656690) is 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide is CSCC(C)N(C)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is PKEXUQQBXYPDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S3/c1-7(5-14-3)11(2)16(12,13)9-4-8(10)6-15-9/h4,6-7H,5,10H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 280.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 112656690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).