2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride

C14H21ClN2OS — CID 120597645

IUPAC2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride
SMILESCN(C(=O)C(C)(N)c1ccccc1)C1CCSC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-14(15,11-6-4-3-5-7-11)13(17)16(2)12-8-9-18-10-12;/h3-7,12H,8-10,15H2,1-2H3;1H
InChIKeyJLVPDUHGQNQUHI-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride

2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride (PubChem CID 120597645) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride
PubChem CID120597645
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride
SMILESCN(C(=O)C(C)(N)c1ccccc1)C1CCSC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-14(15,11-6-4-3-5-7-11)13(17)16(2)12-8-9-18-10-12;/h3-7,12H,8-10,15H2,1-2H3;1H
InChIKeyJLVPDUHGQNQUHI-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103429486
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CID 60867525
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
N,2-dimethyl-2-(methylamino)-N-(thiolan-3-yl)propanamide
CID 62836193
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
CID 43296719
2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
CID 62488951
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide
CID 120597033
2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-phenylpropanamide
CID 62489113
3,6-dimethyl-2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 103428743
N,N',2-trimethyl-2-phenyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 62262755

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride (CID 120597645) is 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride is CN(C(=O)C(C)(N)c1ccccc1)C1CCSC1.Cl.
What is the InChIKey of 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride?
The InChIKey is JLVPDUHGQNQUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-14(15,11-6-4-3-5-7-11)13(17)16(2)12-8-9-18-10-12;/h3-7,12H,8-10,15H2,1-2H3;1H.
What are the key properties of 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride?
2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-phenyl-N-(thiolan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120597645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).