N-(2-methylsulfinylethyl)azetidin-3-amine

C6H14N2OS — CID 84651468

IUPACN-(2-methylsulfinylethyl)azetidin-3-amine
SMILESCS(=O)CCNC1CNC1
InChIInChI=1S/C6H14N2OS/c1-10(9)3-2-8-6-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyMPNQTGYRCLUOGP-UHFFFAOYSA-N
MW162.26 g/mol
LogP-1.07
Rot. Bonds4

About N-(2-methylsulfinylethyl)azetidin-3-amine

N-(2-methylsulfinylethyl)azetidin-3-amine (PubChem CID 84651468) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)azetidin-3-amine
PubChem CID84651468
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC NameN-(2-methylsulfinylethyl)azetidin-3-amine
SMILESCS(=O)CCNC1CNC1
InChIInChI=1S/C6H14N2OS/c1-10(9)3-2-8-6-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyMPNQTGYRCLUOGP-UHFFFAOYSA-N
XLogP-1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Azetidin-3-yl)(imino)methyl-lambda6-sulfanone
CID 132081669
4-(Azetidin-3-yl)-1,4-thiazinane 1-oxide
CID 62783701
N-[3-(Methylsulfonyl)propyl]-3-azetidinamine
CID 65957823
3-(Methylsulfinyl)-azetidine HCl
CID 130526846
N-methyl-2-[(1-oxothietan-1-ylidene)amino]ethanamine
CID 132082181
N-[2-[(S)-methylsulfinyl]ethyl]propan-2-amine
CID 144988079
N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine
CID 144988146
4-(Azetidin-3-yl)-1-imino-1,4-thiazinane 1-oxide
CID 156210879
1-N-(1,1-dioxothietan-3-yl)propane-1,2-diamine
CID 156339489
(Azetidin-3-ylimino)dimethyl-l6-sulfanone
CID 166547099
3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine
CID 170709084
1-(2-Methylsulfonylethyl)azetidin-3-amine
CID 63760915

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)azetidin-3-amine?
The IUPAC name of N-(2-methylsulfinylethyl)azetidin-3-amine (CID 84651468) is N-(2-methylsulfinylethyl)azetidin-3-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)azetidin-3-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)azetidin-3-amine is CS(=O)CCNC1CNC1.
What is the InChIKey of N-(2-methylsulfinylethyl)azetidin-3-amine?
The InChIKey is MPNQTGYRCLUOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-10(9)3-2-8-6-4-7-5-6/h6-8H,2-5H2,1H3.
What are the key properties of N-(2-methylsulfinylethyl)azetidin-3-amine?
N-(2-methylsulfinylethyl)azetidin-3-amine has a molecular weight of 162.26 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)azetidin-3-amine is sourced from PubChem (CID 84651468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).