2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine

C12H21N3O2S — CID 136520503

IUPAC2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NCCn1cccn1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)12-6-3-2-5-11(12)13-8-10-15-9-4-7-14-15/h4,7,9,11-13H,2-3,5-6,8,10H2,1H3
InChIKeyMYWIQVSEUCGPSB-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.83
Rot. Bonds5

About 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine

2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine (PubChem CID 136520503) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
PubChem CID136520503
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NCCn1cccn1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)12-6-3-2-5-11(12)13-8-10-15-9-4-7-14-15/h4,7,9,11-13H,2-3,5-6,8,10H2,1H3
InChIKeyMYWIQVSEUCGPSB-UHFFFAOYSA-N
XLogP0.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 91636175
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
trans-(1R,2R)-2-[3-[[(1S,2R)-2-methylsulfonylcyclohexyl]amino]propyl]cyclohexan-1-ol
CID 124726331
2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
CID 103263462
2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
CID 106054632
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
CID 115901310
1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
CID 79458214

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine (CID 136520503) is 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine is CS(=O)(=O)C1CCCCC1NCCn1cccn1.
What is the InChIKey of 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine?
The InChIKey is MYWIQVSEUCGPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-18(16,17)12-6-3-2-5-11(12)13-8-10-15-9-4-7-14-15/h4,7,9,11-13H,2-3,5-6,8,10H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine?
2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 136520503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).