(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide

C15H23N3O6S3 — CID 97257934

IUPAC(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C15H23N3O6S3/c16-25(19,20)15-4-3-11-18(12-15)27(23,24)14-7-5-13(6-8-14)26(21,22)17-9-1-2-10-17/h5-8,15H,1-4,9-12H2,(H2,16,19,20)/t15-/m0/s1
InChIKeyPZTRTCNKGFTPEE-HNNXBMFYSA-N
MW437.57 g/mol
LogP-0.09
Rot. Bonds5

About (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide

(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide (PubChem CID 97257934) has the molecular formula C15H23N3O6S3 and a molecular weight of 437.57 g/mol. Its IUPAC name is (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
PubChem CID97257934
Molecular FormulaC15H23N3O6S3
Molecular Weight437.57 g/mol
Exact Mass437.07
IUPAC Name(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C15H23N3O6S3/c16-25(19,20)15-4-3-11-18(12-15)27(23,24)14-7-5-13(6-8-14)26(21,22)17-9-1-2-10-17/h5-8,15H,1-4,9-12H2,(H2,16,19,20)/t15-/m0/s1
InChIKeyPZTRTCNKGFTPEE-HNNXBMFYSA-N
XLogP-0.09
TPSA134.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132771
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide
CID 75400396
1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132459
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
1-(4-bromophenyl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041493
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
CID 55663474

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide (CID 97257934) is (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide is NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1.
What is the InChIKey of (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is PZTRTCNKGFTPEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O6S3/c16-25(19,20)15-4-3-11-18(12-15)27(23,24)14-7-5-13(6-8-14)26(21,22)17-9-1-2-10-17/h5-8,15H,1-4,9-12H2,(H2,16,19,20)/t15-/m0/s1.
What are the key properties of (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide?
(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 437.57 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 97257934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).