N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide

C13H24N4O2S — CID 95765062

IUPACN-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC[C@H](c2ccnn2C)C1
InChIInChI=1S/C13H24N4O2S/c1-14-20(18,19)10-4-9-17-8-3-5-12(11-17)13-6-7-15-16(13)2/h6-7,12,14H,3-5,8-11H2,1-2H3/t12-/m0/s1
InChIKeyIDIPGAXCXBJEGY-LBPRGKRZSA-N
MW300.43 g/mol
LogP0.54
Rot. Bonds6

About N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide

N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 95765062) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID95765062
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC[C@H](c2ccnn2C)C1
InChIInChI=1S/C13H24N4O2S/c1-14-20(18,19)10-4-9-17-8-3-5-12(11-17)13-6-7-15-16(13)2/h6-7,12,14H,3-5,8-11H2,1-2H3/t12-/m0/s1
InChIKeyIDIPGAXCXBJEGY-LBPRGKRZSA-N
XLogP0.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide (CID 95765062) is N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide is CNS(=O)(=O)CCCN1CCC[C@H](c2ccnn2C)C1.
What is the InChIKey of N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is IDIPGAXCXBJEGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-14-20(18,19)10-4-9-17-8-3-5-12(11-17)13-6-7-15-16(13)2/h6-7,12,14H,3-5,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide?
N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 95765062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).