(2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine

C12H21N3O2S — CID 95738790

IUPAC(2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
SMILESCC(C)n1cc(S(=O)(=O)N2CCCC[C@@H]2C)cn1
InChIInChI=1S/C12H21N3O2S/c1-10(2)14-9-12(8-13-14)18(16,17)15-7-5-4-6-11(15)3/h8-11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyWDTXKJPCIPOSRT-NSHDSACASA-N
MW271.39 g/mol
LogP2.03
Rot. Bonds3

About (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine

(2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 95738790) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
PubChem CID95738790
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name(2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
SMILESCC(C)n1cc(S(=O)(=O)N2CCCC[C@@H]2C)cn1
InChIInChI=1S/C12H21N3O2S/c1-10(2)14-9-12(8-13-14)18(16,17)15-7-5-4-6-11(15)3/h8-11H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyWDTXKJPCIPOSRT-NSHDSACASA-N
XLogP2.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60928789
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684559
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393
1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 126823017
2-ethoxy-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyridine
CID 97348801
3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43255635
1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
CID 6619456
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine (CID 95738790) is (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine is CC(C)n1cc(S(=O)(=O)N2CCCC[C@@H]2C)cn1.
What is the InChIKey of (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is WDTXKJPCIPOSRT-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)14-9-12(8-13-14)18(16,17)15-7-5-4-6-11(15)3/h8-11H,4-7H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
(2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 271.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 95738790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).