2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine

C12H25NO2S — CID 115908066

IUPAC2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine
SMILESCCCC(C)CNCC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-4-5-11(2)8-13-9-12(6-7-12)10-16(3,14)15/h11,13H,4-10H2,1-3H3
InChIKeyIKISVKPHFQVDIR-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds8

About 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine

2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine (PubChem CID 115908066) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine
PubChem CID115908066
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine
SMILESCCCC(C)CNCC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-4-5-11(2)8-13-9-12(6-7-12)10-16(3,14)15/h11,13H,4-10H2,1-3H3
InChIKeyIKISVKPHFQVDIR-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(methylsulfonylmethyl)cyclopropane
CID 123657531
N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 66024011
2-(2-methylpentylamino)ethanesulfonamide
CID 43551734
4-[(2-methylpentylamino)methyl]thian-4-ol
CID 115904288
3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine
CID 115892583
N-[[1-(2-methylpentyl)cyclobutyl]methyl]propan-1-amine
CID 65194997
N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine
CID 139514127
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
CID 65498175
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732724

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine (CID 115908066) is 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine is CCCC(C)CNCC1(CS(C)(=O)=O)CC1.
What is the InChIKey of 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine?
The InChIKey is IKISVKPHFQVDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-5-11(2)8-13-9-12(6-7-12)10-16(3,14)15/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine?
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pentan-1-amine is sourced from PubChem (CID 115908066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).