4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide

C11H21N3O2S2 — CID 54953918

IUPAC4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H21N3O2S2/c1-8(2)10(6-14(3)4)13-18(15,16)11-5-9(12)7-17-11/h5,7-8,10,13H,6,12H2,1-4H3
InChIKeyUUOFHPAPLIQFAW-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.19
Rot. Bonds6

About 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide

4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide (PubChem CID 54953918) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide
PubChem CID54953918
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)C(CN(C)C)NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H21N3O2S2/c1-8(2)10(6-14(3)4)13-18(15,16)11-5-9(12)7-17-11/h5,7-8,10,13H,6,12H2,1-4H3
InChIKeyUUOFHPAPLIQFAW-UHFFFAOYSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide (CID 54953918) is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide is CC(C)C(CN(C)C)NS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide?
The InChIKey is UUOFHPAPLIQFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-8(2)10(6-14(3)4)13-18(15,16)11-5-9(12)7-17-11/h5,7-8,10,13H,6,12H2,1-4H3.
What are the key properties of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide?
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 54953918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).