3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide

C10H20N2O2S — CID 106114336

IUPAC3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
SMILESCOC(CN)C(=O)NCC1(SC)CCC1
InChIInChI=1S/C10H20N2O2S/c1-14-8(6-11)9(13)12-7-10(15-2)4-3-5-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyRBAWYCYOCXSTRL-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.36
Rot. Bonds6

About 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide

3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide (PubChem CID 106114336) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
PubChem CID106114336
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
SMILESCOC(CN)C(=O)NCC1(SC)CCC1
InChIInChI=1S/C10H20N2O2S/c1-14-8(6-11)9(13)12-7-10(15-2)4-3-5-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyRBAWYCYOCXSTRL-UHFFFAOYSA-N
XLogP0.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
CID 107299283
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114116201
3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide
CID 114117368
3-amino-N-(cyclohexylmethyl)-2-methoxypropanamide
CID 106111277
3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide
CID 106113782
1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea
CID 107265865
(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 119336130
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
CID 119336131
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
CID 106114395
1-[(1-methylsulfanylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 114117430
6-amino-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptanamide
CID 114115988
3-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxypropanamide
CID 106113069

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide (CID 106114336) is 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide is COC(CN)C(=O)NCC1(SC)CCC1.
What is the InChIKey of 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide?
The InChIKey is RBAWYCYOCXSTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-14-8(6-11)9(13)12-7-10(15-2)4-3-5-10/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide?
3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide has a molecular weight of 232.35 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide is sourced from PubChem (CID 106114336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).