N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride

C15H25ClN2O2S — CID 119657257

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCC(=O)c1cccs1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-11(2)12(16)8-9-17(3)15(19)7-6-13(18)14-5-4-10-20-14;/h4-5,10-12H,6-9,16H2,1-3H3;1H
InChIKeyFFUKUIXACYMDBY-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.96
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride (PubChem CID 119657257) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
PubChem CID119657257
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCC(=O)c1cccs1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-11(2)12(16)8-9-17(3)15(19)7-6-13(18)14-5-4-10-20-14;/h4-5,10-12H,6-9,16H2,1-3H3;1H
InChIKeyFFUKUIXACYMDBY-UHFFFAOYSA-N
XLogP2.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119659146
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
CID 119659917
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide
CID 108796375
N-(2-cyanoethyl)-N-methyl-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 60609811
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 119659123
N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
CID 110298043
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride (CID 119657257) is N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CCC(=O)c1cccs1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride?
The InChIKey is FFUKUIXACYMDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-11(2)12(16)8-9-17(3)15(19)7-6-13(18)14-5-4-10-20-14;/h4-5,10-12H,6-9,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride is sourced from PubChem (CID 119657257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).