4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide

C10H19N3O2S2 — CID 54963970

IUPAC4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H19N3O2S2/c1-8(4-5-13(2)3)12-17(14,15)10-6-9(11)7-16-10/h6-8,12H,4-5,11H2,1-3H3
InChIKeyWUHHZBAUGFQOTB-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.95
Rot. Bonds6

About 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide

4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide (PubChem CID 54963970) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide
PubChem CID54963970
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H19N3O2S2/c1-8(4-5-13(2)3)12-17(14,15)10-6-9(11)7-16-10/h6-8,12H,4-5,11H2,1-3H3
InChIKeyWUHHZBAUGFQOTB-UHFFFAOYSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide (CID 54963970) is 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide is CC(CCN(C)C)NS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide?
The InChIKey is WUHHZBAUGFQOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-8(4-5-13(2)3)12-17(14,15)10-6-9(11)7-16-10/h6-8,12H,4-5,11H2,1-3H3.
What are the key properties of 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide?
4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 54963970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).