3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide

C10H18N2O2S — CID 63706186

IUPAC3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide
SMILESCC(C(=O)NCC1CCOCC1)C(N)=S
InChIInChI=1S/C10H18N2O2S/c1-7(9(11)15)10(13)12-6-8-2-4-14-5-3-8/h7-8H,2-6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyWXARXNWQBIEUCZ-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.45
Rot. Bonds4

About 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide

3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide (PubChem CID 63706186) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide
PubChem CID63706186
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide
SMILESCC(C(=O)NCC1CCOCC1)C(N)=S
InChIInChI=1S/C10H18N2O2S/c1-7(9(11)15)10(13)12-6-8-2-4-14-5-3-8/h7-8H,2-6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyWXARXNWQBIEUCZ-UHFFFAOYSA-N
XLogP0.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-3-methyl-N-(oxan-4-ylmethyl)butanamide
CID 63706504
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76925491
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide (CID 63706186) is 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide is CC(C(=O)NCC1CCOCC1)C(N)=S.
What is the InChIKey of 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide?
The InChIKey is WXARXNWQBIEUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(9(11)15)10(13)12-6-8-2-4-14-5-3-8/h7-8H,2-6H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide?
3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide has a molecular weight of 230.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(oxan-4-ylmethyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 63706186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).