4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide

C12H19NO2S — CID 79200842

IUPAC4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
SMILESCc1ccsc1CN(C)C(=O)CCC(C)O
InChIInChI=1S/C12H19NO2S/c1-9-6-7-16-11(9)8-13(3)12(15)5-4-10(2)14/h6-7,10,14H,4-5,8H2,1-3H3
InChIKeyMRECTVAQHIAHNR-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.18
Rot. Bonds5

About 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide

4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide (PubChem CID 79200842) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
PubChem CID79200842
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
SMILESCc1ccsc1CN(C)C(=O)CCC(C)O
InChIInChI=1S/C12H19NO2S/c1-9-6-7-16-11(9)8-13(3)12(15)5-4-10(2)14/h6-7,10,14H,4-5,8H2,1-3H3
InChIKeyMRECTVAQHIAHNR-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62729258
3-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]butanoic acid
CID 115186262

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide (CID 79200842) is 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide is Cc1ccsc1CN(C)C(=O)CCC(C)O.
What is the InChIKey of 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide?
The InChIKey is MRECTVAQHIAHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9-6-7-16-11(9)8-13(3)12(15)5-4-10(2)14/h6-7,10,14H,4-5,8H2,1-3H3.
What are the key properties of 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide?
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide has a molecular weight of 241.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 79200842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).