2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide

C12H19ClN2OS — CID 54869576

IUPAC2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-4-8(2)11(14)12(16)15(3)7-9-5-6-10(13)17-9/h5-6,8,11H,4,7,14H2,1-3H3
InChIKeyJFLBAROBLIRMPD-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.73
Rot. Bonds5

About 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide (PubChem CID 54869576) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
PubChem CID54869576
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-4-8(2)11(14)12(16)15(3)7-9-5-6-10(13)17-9/h5-6,8,11H,4,7,14H2,1-3H3
InChIKeyJFLBAROBLIRMPD-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
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
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
CID 93367881
ethyl 2-[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]-3,3-dimethylbutanoate
CID 116537844
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxy-N-methylpentanamide
CID 81083116
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
N-[(5-chlorothiophen-2-yl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76926115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide?
The IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide (CID 54869576) is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide is CCC(C)C(N)C(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide?
The InChIKey is JFLBAROBLIRMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-4-8(2)11(14)12(16)15(3)7-9-5-6-10(13)17-9/h5-6,8,11H,4,7,14H2,1-3H3.
What are the key properties of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide?
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide has a molecular weight of 274.82 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 54869576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).