N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide

C12H17NO2S — CID 66347205

IUPACN-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
SMILESCCNC(=O)CCSc1cccc(CO)c1
InChIInChI=1S/C12H17NO2S/c1-2-13-12(15)6-7-16-11-5-3-4-10(8-11)9-14/h3-5,8,14H,2,6-7,9H2,1H3,(H,13,15)
InChIKeyMNCFINTYYJVUKQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.80
Rot. Bonds6

About N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide

N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide (PubChem CID 66347205) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
PubChem CID66347205
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
SMILESCCNC(=O)CCSc1cccc(CO)c1
InChIInChI=1S/C12H17NO2S/c1-2-13-12(15)6-7-16-11-5-3-4-10(8-11)9-14/h3-5,8,14H,2,6-7,9H2,1H3,(H,13,15)
InChIKeyMNCFINTYYJVUKQ-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide 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

methyl 3-[3-(hydroxymethyl)phenyl]sulfanylpropanoate
CID 66347189
4-[3-(hydroxymethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349537
3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
CID 79148198
(3-pentylsulfanylphenyl)methanol
CID 66347769
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
3-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 62324245
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
CID 66349249
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 66348561
4-[3-(ethylaminomethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349601
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224495
N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
CID 53279525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide?
The IUPAC name of N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide (CID 66347205) is N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide is CCNC(=O)CCSc1cccc(CO)c1.
What is the InChIKey of N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide?
The InChIKey is MNCFINTYYJVUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-13-12(15)6-7-16-11-5-3-4-10(8-11)9-14/h3-5,8,14H,2,6-7,9H2,1H3,(H,13,15).
What are the key properties of N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide?
N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 66347205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).