1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide

C12H21N3O2S — CID 113297553

IUPAC1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C12H21N3O2S/c1-4-12(9-13)18(16,17)14-10-6-5-7-11(8-10)15(2)3/h5-8,12,14H,4,9,13H2,1-3H3
InChIKeyFSXWIBQKFAQHNO-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.23
Rot. Bonds6

About 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide

1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide (PubChem CID 113297553) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide
PubChem CID113297553
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C12H21N3O2S/c1-4-12(9-13)18(16,17)14-10-6-5-7-11(8-10)15(2)3/h5-8,12,14H,4,9,13H2,1-3H3
InChIKeyFSXWIBQKFAQHNO-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
CID 107472557
methyl 2-bromo-3-[3-(dimethylamino)anilino]propanoate
CID 103260461
2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
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2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
CID 115375894
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide?
The IUPAC name of 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide (CID 113297553) is 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide is CCC(CN)S(=O)(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide?
The InChIKey is FSXWIBQKFAQHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-12(9-13)18(16,17)14-10-6-5-7-11(8-10)15(2)3/h5-8,12,14H,4,9,13H2,1-3H3.
What are the key properties of 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide?
1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(dimethylamino)phenyl]butane-2-sulfonamide is sourced from PubChem (CID 113297553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).