N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide

C13H21NO2S2 — CID 46995462

IUPACN-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCSCCC(=O)N(CCCO)Cc1ccc(C)s1
InChIInChI=1S/C13H21NO2S2/c1-11-4-5-12(18-11)10-14(7-3-8-15)13(16)6-9-17-2/h4-5,15H,3,6-10H2,1-2H3
InChIKeyCGYBSMQDQZICPS-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.52
Rot. Bonds8

About N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide

N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide (PubChem CID 46995462) has the molecular formula C13H21NO2S2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
PubChem CID46995462
Molecular FormulaC13H21NO2S2
Molecular Weight287.45 g/mol
Exact Mass287.10
IUPAC NameN-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCSCCC(=O)N(CCCO)Cc1ccc(C)s1
InChIInChI=1S/C13H21NO2S2/c1-11-4-5-12(18-11)10-14(7-3-8-15)13(16)6-9-17-2/h4-5,15H,3,6-10H2,1-2H3
InChIKeyCGYBSMQDQZICPS-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide (CID 46995462) is N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide is CSCCC(=O)N(CCCO)Cc1ccc(C)s1.
What is the InChIKey of N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is CGYBSMQDQZICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S2/c1-11-4-5-12(18-11)10-14(7-3-8-15)13(16)6-9-17-2/h4-5,15H,3,6-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 287.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 46995462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).