cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine

C7H15NO2S — CID 94586193

IUPACcis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCN[C@@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-8-6-4-3-5-7(6)11(2,9)10/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyYVKMTUPGLFXONW-RQJHMYQMSA-N
MW177.27 g/mol
LogP0.17
Rot. Bonds2

About cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine

cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 94586193) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID94586193
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Namecis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCN[C@@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-8-6-4-3-5-7(6)11(2,9)10/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyYVKMTUPGLFXONW-RQJHMYQMSA-N
XLogP0.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine
CID 115910643
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
N-methyl-2-methylsulfonylcyclopropan-1-amine
CID 129191618
2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
CID 64675198
2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
CID 64674214
2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine
CID 115901322
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 103914483
N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine
CID 115920343
N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine
CID 64904895
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
2-[(2-methylsulfonylcyclopentyl)amino]acetamide
CID 65046579

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 94586193) is cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine is CN[C@@H]1CCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is YVKMTUPGLFXONW-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-8-6-4-3-5-7(6)11(2,9)10/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 94586193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).