trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine

C12H21N3O2S — CID 99638037

IUPACtrans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
SMILESCS(=O)(=O)[C@@H]1CCC[C@H]1NCCCn1cccn1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)12-6-2-5-11(12)13-7-3-9-15-10-4-8-14-15/h4,8,10-13H,2-3,5-7,9H2,1H3/t11-,12-/m1/s1
InChIKeyQWKWVGCYPFPUQS-VXGBXAGGSA-N
MW271.39 g/mol
LogP0.83
Rot. Bonds6

About trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine

trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine (PubChem CID 99638037) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
PubChem CID99638037
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Nametrans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
SMILESCS(=O)(=O)[C@@H]1CCC[C@H]1NCCCn1cccn1
InChIInChI=1S/C12H21N3O2S/c1-18(16,17)12-6-2-5-11(12)13-7-3-9-15-10-4-8-14-15/h4,8,10-13H,2-3,5-7,9H2,1H3/t11-,12-/m1/s1
InChIKeyQWKWVGCYPFPUQS-VXGBXAGGSA-N
XLogP0.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 91636175
2-methylsulfonyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
CID 136520503
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
CID 103263462
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
CID 107907905
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115708654
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
CID 115900911
1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
CID 113412467

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine (CID 99638037) is trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine is CS(=O)(=O)[C@@H]1CCC[C@H]1NCCCn1cccn1.
What is the InChIKey of trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine?
The InChIKey is QWKWVGCYPFPUQS-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-18(16,17)12-6-2-5-11(12)13-7-3-9-15-10-4-8-14-15/h4,8,10-13H,2-3,5-7,9H2,1H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine?
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 99638037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).