1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide

C16H28N4O2S — CID 99858954

IUPAC1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@@H]1CCCN(C[C@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)C1
InChIInChI=1S/C16H28N4O2S/c1-13-4-3-7-19(9-13)10-14(2)18-23(21,22)16-8-17-20(12-16)11-15-5-6-15/h8,12-15,18H,3-7,9-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyBWTPQXWCOYJDOJ-KGLIPLIRSA-N
MW340.49 g/mol
LogP1.69
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide

1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide (PubChem CID 99858954) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide
PubChem CID99858954
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide
SMILESC[C@@H]1CCCN(C[C@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)C1
InChIInChI=1S/C16H28N4O2S/c1-13-4-3-7-19(9-13)10-14(2)18-23(21,22)16-8-17-20(12-16)11-15-5-6-15/h8,12-15,18H,3-7,9-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyBWTPQXWCOYJDOJ-KGLIPLIRSA-N
XLogP1.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide with MolForge

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Related Compounds

3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
CID 129408262
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
CID 99793097
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 86804960
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
CID 99827324
N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61275215
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]oxolane-3-sulfonamide
CID 146090184
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684462
1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide (CID 99858954) is 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide is C[C@@H]1CCCN(C[C@H](C)NS(=O)(=O)c2cnn(CC3CC3)c2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is BWTPQXWCOYJDOJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-13-4-3-7-19(9-13)10-14(2)18-23(21,22)16-8-17-20(12-16)11-15-5-6-15/h8,12-15,18H,3-7,9-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide?
1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 99858954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).