3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide

C15H25N3O2S — CID 129408262

IUPAC3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
SMILESC[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cccc(N)c2)C1
InChIInChI=1S/C15H25N3O2S/c1-12-5-4-8-18(10-12)11-13(2)17-21(19,20)15-7-3-6-14(16)9-15/h3,6-7,9,12-13,17H,4-5,8,10-11,16H2,1-2H3/t12-,13+/m0/s1
InChIKeySDMYVUHNBSYRRX-QWHCGFSZSA-N
MW311.45 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide

3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide (PubChem CID 129408262) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
PubChem CID129408262
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
SMILESC[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cccc(N)c2)C1
InChIInChI=1S/C15H25N3O2S/c1-12-5-4-8-18(10-12)11-13(2)17-21(19,20)15-7-3-6-14(16)9-15/h3,6-7,9,12-13,17H,4-5,8,10-11,16H2,1-2H3/t12-,13+/m0/s1
InChIKeySDMYVUHNBSYRRX-QWHCGFSZSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
4-Amino-N-(2-(dimethylamino)ethyl)benzenesulfonamide
CID 203438
4-(Piperidine-1-sulfonyl)aniline
CID 236648
3-Amino-N-butylbenzenesulfonamide
CID 5137973
N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 4559301
3-Methyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 3107291
3-[4-(4-Methylpiperidin-1-yl)piperidin-1-yl]sulfonylaniline
CID 146666679
4-[(2,6-Dimethylpiperidin-1-yl)sulfonyl]aniline
CID 2920428
4-((3,5-Dimethylpiperidin-1-yl)sulfonyl)aniline
CID 2956918
4-[(3-Methylpiperidin-1-yl)sulfonyl]aniline
CID 3146105
4-((4-Methylpiperidin-1-yl)sulfonyl)aniline
CID 788726
3-(Piperidinosulfonyl)aniline
CID 2794791

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide (CID 129408262) is 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide is C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cccc(N)c2)C1.
What is the InChIKey of 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide?
The InChIKey is SDMYVUHNBSYRRX-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-5-4-8-18(10-12)11-13(2)17-21(19,20)15-7-3-6-14(16)9-15/h3,6-7,9,12-13,17H,4-5,8,10-11,16H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide?
3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 129408262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).