N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide

C11H20N4O2S — CID 129372348

IUPACN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H]1CCCC[C@H]1CN
InChIInChI=1S/C11H20N4O2S/c1-8-11(7-13-14-8)18(16,17)15-10-5-3-2-4-9(10)6-12/h7,9-10,15H,2-6,12H2,1H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyGHGNKHGAVRUHKX-UWVGGRQHSA-N
MW272.37 g/mol
LogP0.51
Rot. Bonds4

About N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 129372348) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID129372348
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H]1CCCC[C@H]1CN
InChIInChI=1S/C11H20N4O2S/c1-8-11(7-13-14-8)18(16,17)15-10-5-3-2-4-9(10)6-12/h7,9-10,15H,2-6,12H2,1H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyGHGNKHGAVRUHKX-UWVGGRQHSA-N
XLogP0.51
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 129372348) is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N[C@H]1CCCC[C@H]1CN.
What is the InChIKey of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is GHGNKHGAVRUHKX-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-11(7-13-14-8)18(16,17)15-10-5-3-2-4-9(10)6-12/h7,9-10,15H,2-6,12H2,1H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 129372348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).