(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine

C6H14N2O2S — CID 129407794

IUPAC(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine
SMILESC[C@H](N)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-5(7)6-3-8(4-6)11(2,9)10/h5-6H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyGRPVRSHYVYFPLD-YFKPBYRVSA-N
MW178.26 g/mol
LogP-0.77
Rot. Bonds2

About (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine

(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine (PubChem CID 129407794) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine
PubChem CID129407794
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine
SMILESC[C@H](N)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-5(7)6-3-8(4-6)11(2,9)10/h5-6H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyGRPVRSHYVYFPLD-YFKPBYRVSA-N
XLogP-0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
1-methylsulfonyl-3-propan-2-yloxyazetidine
CID 121261769
4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane
CID 154841529
ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
CID 155736359
1-methylsulfonyl-N-propan-2-ylazetidin-3-amine
CID 130416289
1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976089
1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513001
1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
CID 63595516
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
CID 130277693
3-(1-aminoethyl)-N,N-diethylpiperidine-1-sulfonamide
CID 63854361
1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976134

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine?
The IUPAC name of (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine (CID 129407794) is (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine is C[C@H](N)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine?
The InChIKey is GRPVRSHYVYFPLD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-5(7)6-3-8(4-6)11(2,9)10/h5-6H,3-4,7H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine?
(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine has a molecular weight of 178.26 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine is sourced from PubChem (CID 129407794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).