N-(2-methylsulfonylethyl)cyclopropanamine

C6H13NO2S — CID 60712135

IUPACN-(2-methylsulfonylethyl)cyclopropanamine
SMILESCS(=O)(=O)CCNC1CC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)5-4-7-6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyCZELEQBIQIGLCK-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds4

About N-(2-methylsulfonylethyl)cyclopropanamine

N-(2-methylsulfonylethyl)cyclopropanamine (PubChem CID 60712135) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)cyclopropanamine
PubChem CID60712135
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-(2-methylsulfonylethyl)cyclopropanamine
SMILESCS(=O)(=O)CCNC1CC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)5-4-7-6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyCZELEQBIQIGLCK-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
[1-(Ethanesulfonyl)propan-2-yl](ethyl)amine
CID 54593046
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
(2-Methanesulfonylethyl)(propan-2-yl)amine
CID 60708370
3-(Propylamino)-1lambda6-thiolane-1,1-dione
CID 3703923
N-cyclopropyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 16247867
Ethyl(1-methanesulfonylpropan-2-yl)amine
CID 54592972
Agn-PC-0nhgeb
CID 11194685
N-cyclopropyl-1,1-dioxothiolan-3-amine
CID 4962275
N-(1-methanesulfonylpropan-2-yl)cyclopropanamine
CID 54592973
(3-Methanesulfonylpropyl)(methyl)amine
CID 22277805

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)cyclopropanamine?
The IUPAC name of N-(2-methylsulfonylethyl)cyclopropanamine (CID 60712135) is N-(2-methylsulfonylethyl)cyclopropanamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)cyclopropanamine?
The canonical SMILES for N-(2-methylsulfonylethyl)cyclopropanamine is CS(=O)(=O)CCNC1CC1.
What is the InChIKey of N-(2-methylsulfonylethyl)cyclopropanamine?
The InChIKey is CZELEQBIQIGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)5-4-7-6-2-3-6/h6-7H,2-5H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)cyclopropanamine?
N-(2-methylsulfonylethyl)cyclopropanamine has a molecular weight of 163.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)cyclopropanamine is sourced from PubChem (CID 60712135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).