(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine

C14H21NO3S — CID 93318970

IUPAC(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine
SMILESCOc1ccccc1C[C@H](C)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H21NO3S/c1-11(15-13-7-8-19(16,17)10-13)9-12-5-3-4-6-14(12)18-2/h3-6,11,13,15H,7-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyKGYVVSVHOHKTCK-WCQYABFASA-N
MW283.39 g/mol
LogP1.40
Rot. Bonds5

About (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine

(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine (PubChem CID 93318970) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine
PubChem CID93318970
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine
SMILESCOc1ccccc1C[C@H](C)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H21NO3S/c1-11(15-13-7-8-19(16,17)10-13)9-12-5-3-4-6-14(12)18-2/h3-6,11,13,15H,7-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyKGYVVSVHOHKTCK-WCQYABFASA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539
1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol
CID 64904593
N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)propanamide
CID 2908716
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107411
4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
CID 65083104
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 94017520
2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-6-methoxyphenol
CID 43190971
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113119754
3-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025229
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine (CID 93318970) is (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine is COc1ccccc1C[C@H](C)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine?
The InChIKey is KGYVVSVHOHKTCK-WCQYABFASA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(15-13-7-8-19(16,17)10-13)9-12-5-3-4-6-14(12)18-2/h3-6,11,13,15H,7-10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine?
(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine has a molecular weight of 283.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 93318970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).