N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide

C11H17ClN2OS — CID 79196449

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-8(6-13-2)11(15)14(3)7-9-4-5-10(12)16-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeyPSROLJVQMRQMQV-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.22
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide

N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide (PubChem CID 79196449) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
PubChem CID79196449
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-8(6-13-2)11(15)14(3)7-9-4-5-10(12)16-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeyPSROLJVQMRQMQV-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
N-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792347
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196121
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
(2S)-2-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61439670
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
CID 93367881

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide (CID 79196449) is N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide is CNCC(C)C(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is PSROLJVQMRQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-8(6-13-2)11(15)14(3)7-9-4-5-10(12)16-9/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 260.79 g/mol, XLogP of 2.22, 5 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]-N,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 79196449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).