(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C14H22N4O3S — CID 51388821

IUPAC(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cnn1C
InChIInChI=1S/C14H22N4O3S/c1-10-13(8-15-17(10)2)22(20,21)18-7-3-4-11(9-18)14(19)16-12-5-6-12/h8,11-12H,3-7,9H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyKLBMUCPPHDGCRP-NSHDSACASA-N
MW326.42 g/mol
LogP0.41
Rot. Bonds4

About (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 51388821) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID51388821
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cnn1C
InChIInChI=1S/C14H22N4O3S/c1-10-13(8-15-17(10)2)22(20,21)18-7-3-4-11(9-18)14(19)16-12-5-6-12/h8,11-12H,3-7,9H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyKLBMUCPPHDGCRP-NSHDSACASA-N
XLogP0.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 51388821) is (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cnn1C.
What is the InChIKey of (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KLBMUCPPHDGCRP-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10-13(8-15-17(10)2)22(20,21)18-7-3-4-11(9-18)14(19)16-12-5-6-12/h8,11-12H,3-7,9H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51388821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).