3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine

C7H16N2O2S — CID 175979504

IUPAC3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
SMILESCC1(NCCS(C)(=O)=O)CNC1
InChIInChI=1S/C7H16N2O2S/c1-7(5-8-6-7)9-3-4-12(2,10)11/h8-9H,3-6H2,1-2H3
InChIKeyIVPKBQZZAWPINL-UHFFFAOYSA-N
MW192.28 g/mol
LogP-1.02
Rot. Bonds4

About 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine

3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine (PubChem CID 175979504) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
PubChem CID175979504
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
SMILESCC1(NCCS(C)(=O)=O)CNC1
InChIInChI=1S/C7H16N2O2S/c1-7(5-8-6-7)9-3-4-12(2,10)11/h8-9H,3-6H2,1-2H3
InChIKeyIVPKBQZZAWPINL-UHFFFAOYSA-N
XLogP-1.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl(2-methanesulfonylethyl)amine
CID 60147188
N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
CID 63191634
N-[3-(Methylsulfonyl)propyl]-3-azetidinamine
CID 65957823
1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine
CID 90078049
N-(1-tert-butylazetidin-3-yl)ethanesulfonamide
CID 129035133
N-(1-tert-butylazetidin-3-yl)propane-2-sulfonamide
CID 129035135
N-tert-butylazetidine-3-sulfonamide
CID 130208647
1-N-(1,1-dioxothietan-3-yl)propane-1,2-diamine
CID 156339489
2-Methyl-1-(2-methylsulfonylethyl)azetidin-3-amine
CID 170709017
3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine
CID 170709084
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
CID 175979503
3-[2-(Tert-butylamino)ethyl-dimethylazaniumyl]propane-1-sulfonate
CID 176817052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine (CID 175979504) is 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine is CC1(NCCS(C)(=O)=O)CNC1.
What is the InChIKey of 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine?
The InChIKey is IVPKBQZZAWPINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(5-8-6-7)9-3-4-12(2,10)11/h8-9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine?
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine has a molecular weight of 192.28 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine is sourced from PubChem (CID 175979504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).