N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine

C12H25NO2S — CID 65046156

IUPACN-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCC(C)C(C)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-5-9(2)10(3)13-11-7-6-8-12(11)16(4,14)15/h9-13H,5-8H2,1-4H3
InChIKeyBHJKPJGFSSSGAA-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds5

About N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine

N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65046156) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65046156
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCC(C)C(C)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-5-9(2)10(3)13-11-7-6-8-12(11)16(4,14)15/h9-13H,5-8H2,1-4H3
InChIKeyBHJKPJGFSSSGAA-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046268
(2R)-2-[[(1R,2R)-2-methylsulfonylcyclopentyl]amino]propan-1-ol
CID 124596706
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
CID 114987227
2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol
CID 103914098
2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine
CID 115901322
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045799
N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine
CID 115920343

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine (CID 65046156) is N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine is CCC(C)C(C)NC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is BHJKPJGFSSSGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-9(2)10(3)13-11-7-6-8-12(11)16(4,14)15/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65046156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).