(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide

C11H20N4O4S2 — CID 124956608

IUPAC(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C11H20N4O4S2/c1-14(2)21(18,19)15-6-4-5-9(8-15)11-10(7-12-13-11)20(3,16)17/h7,9H,4-6,8H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyFSTYHFKUDKEWPE-VIFPVBQESA-N
MW336.44 g/mol
LogP-0.20
Rot. Bonds4

About (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide

(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide (PubChem CID 124956608) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
PubChem CID124956608
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C11H20N4O4S2/c1-14(2)21(18,19)15-6-4-5-9(8-15)11-10(7-12-13-11)20(3,16)17/h7,9H,4-6,8H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyFSTYHFKUDKEWPE-VIFPVBQESA-N
XLogP-0.20
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide (CID 124956608) is (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The InChIKey is FSTYHFKUDKEWPE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-14(2)21(18,19)15-6-4-5-9(8-15)11-10(7-12-13-11)20(3,16)17/h7,9H,4-6,8H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 124956608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).