N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide

C11H16ClNO2S — CID 79198622

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CCCCO
InChIInChI=1S/C11H16ClNO2S/c1-13(11(15)4-2-3-7-14)8-9-5-6-10(12)16-9/h5-6,14H,2-4,7-8H2,1H3
InChIKeyHWAYJTPFRLOULY-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.52
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide

N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide (PubChem CID 79198622) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
PubChem CID79198622
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CCCCO
InChIInChI=1S/C11H16ClNO2S/c1-13(11(15)4-2-3-7-14)8-9-5-6-10(12)16-9/h5-6,14H,2-4,7-8H2,1H3
InChIKeyHWAYJTPFRLOULY-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204311
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-prop-2-enylpentanamide
CID 79198711
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139413
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
CID 86985635
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62467093

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide (CID 79198622) is N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide is CN(Cc1ccc(Cl)s1)C(=O)CCCCO.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide?
The InChIKey is HWAYJTPFRLOULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-13(11(15)4-2-3-7-14)8-9-5-6-10(12)16-9/h5-6,14H,2-4,7-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide?
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide has a molecular weight of 261.77 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide is sourced from PubChem (CID 79198622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).