N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide

C10H13NOS — CID 131162335

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide
SMILESCOc1ccc([C@H](C)NC=S)cc1
InChIInChI=1S/C10H13NOS/c1-8(11-7-13)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3,(H,11,13)/t8-/m0/s1
InChIKeyNCXGSKZLSNDNJX-QMMMGPOBSA-N
MW195.29 g/mol
LogP2.30
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide (PubChem CID 131162335) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide
PubChem CID131162335
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide
SMILESCOc1ccc([C@H](C)NC=S)cc1
InChIInChI=1S/C10H13NOS/c1-8(11-7-13)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3,(H,11,13)/t8-/m0/s1
InChIKeyNCXGSKZLSNDNJX-QMMMGPOBSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine
CID 163358815
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
(E)-4-[1-(4-methoxyphenyl)ethylamino]-3-methylbut-2-enoic acid
CID 103256077
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
CID 107899124
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
CID 113260762
(E)-4-chloro-N-[1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
CID 81430269

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide (CID 131162335) is N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide is COc1ccc([C@H](C)NC=S)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide?
The InChIKey is NCXGSKZLSNDNJX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(11-7-13)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3,(H,11,13)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide has a molecular weight of 195.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]methanethioamide is sourced from PubChem (CID 131162335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).