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

C12H25NO2S — CID 115920343

IUPACN-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCC(C)(CC)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-5-12(3,6-2)13-10-8-7-9-11(10)16(4,14)15/h10-11,13H,5-9H2,1-4H3
InChIKeyJAJSJLDFLPKVDP-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds5

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

N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 115920343) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID115920343
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCC(C)(CC)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H25NO2S/c1-5-12(3,6-2)13-10-8-7-9-11(10)16(4,14)15/h10-11,13H,5-9H2,1-4H3
InChIKeyJAJSJLDFLPKVDP-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol
CID 66178968
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol
CID 106328921
2-ethyl-N-(3-methylpentan-3-yl)cyclohexan-1-amine
CID 106328263
N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901335
N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046156
2-(tert-butylamino)cyclopentane-1-sulfonate
CID 58003861
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 103914483
N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 113350840

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine (CID 115920343) is N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine is CCC(C)(CC)NC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is JAJSJLDFLPKVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-12(3,6-2)13-10-8-7-9-11(10)16(4,14)15/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 115920343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).