N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine

C11H21NO2S — CID 103914483

IUPACN-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCC1(CNC2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C11H21NO2S/c1-11(6-7-11)8-12-9-4-3-5-10(9)15(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyBPWCJNQRSKSMLP-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.34
Rot. Bonds4

About N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine

N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 103914483) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID103914483
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCC1(CNC2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C11H21NO2S/c1-11(6-7-11)8-12-9-4-3-5-10(9)15(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyBPWCJNQRSKSMLP-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045704
N-[(1-ethylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 113350840
N,N-dimethyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65047071
4-methyl-1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65115654
4-[[(2-methylsulfonylcyclopentyl)amino]methyl]oxan-4-ol
CID 81131287
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
2-[(2-methylsulfonylcyclopentyl)amino]acetamide
CID 65046579
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901335

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine (CID 103914483) is N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine is CC1(CNC2CCCC2S(C)(=O)=O)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is BPWCJNQRSKSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(6-7-11)8-12-9-4-3-5-10(9)15(2,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 103914483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).