3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide

C14H20N2OS — CID 43296719

IUPAC3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
SMILESCN(C(=O)CC(N)c1ccccc1)C1CCSC1
InChIInChI=1S/C14H20N2OS/c1-16(12-7-8-18-10-12)14(17)9-13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3
InChIKeyVMUQEPINVFVDOX-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.04
Rot. Bonds4

About 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide

3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide (PubChem CID 43296719) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
PubChem CID43296719
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
SMILESCN(C(=O)CC(N)c1ccccc1)C1CCSC1
InChIInChI=1S/C14H20N2OS/c1-16(12-7-8-18-10-12)14(17)9-13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3
InChIKeyVMUQEPINVFVDOX-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 119952577
2-[methyl(thiolan-3-yl)amino]-2-phenylacetic acid
CID 43296865
4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 81070662
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride
CID 120597645
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119949645

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide?
The IUPAC name of 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide (CID 43296719) is 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide is CN(C(=O)CC(N)c1ccccc1)C1CCSC1.
What is the InChIKey of 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide?
The InChIKey is VMUQEPINVFVDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16(12-7-8-18-10-12)14(17)9-13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3.
What are the key properties of 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide?
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide has a molecular weight of 264.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 43296719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).