6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide

C11H17ClN2OS — CID 102764308

IUPAC6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide
SMILESCc1cc(C(N)CCCCC(N)=O)sc1Cl
InChIInChI=1S/C11H17ClN2OS/c1-7-6-9(16-11(7)12)8(13)4-2-3-5-10(14)15/h6,8H,2-5,13H2,1H3,(H2,14,15)
InChIKeyCXTIGPHTMWZUAF-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.76
Rot. Bonds6

About 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide

6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide (PubChem CID 102764308) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide.

Molecular Properties

Compound Name6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide
PubChem CID102764308
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide
SMILESCc1cc(C(N)CCCCC(N)=O)sc1Cl
InChIInChI=1S/C11H17ClN2OS/c1-7-6-9(16-11(7)12)8(13)4-2-3-5-10(14)15/h6,8H,2-5,13H2,1H3,(H2,14,15)
InChIKeyCXTIGPHTMWZUAF-UHFFFAOYSA-N
XLogP2.76
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
ethyl 4-amino-4-(5-chloro-4-methylthiophen-2-yl)butanoate
CID 102764305
6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide
CID 60862006
5-amino-5-(2,5-dichlorothiophen-3-yl)pentanamide
CID 60860350
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
CID 102763560
(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
CID 102841382
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
4-amino-4-(4-chloro-5-methylthiophen-2-yl)butanoic acid
CID 84796674

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide?
The IUPAC name of 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide (CID 102764308) is 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide.
What is the SMILES notation for 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide?
The canonical SMILES for 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide is Cc1cc(C(N)CCCCC(N)=O)sc1Cl.
What is the InChIKey of 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide?
The InChIKey is CXTIGPHTMWZUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-7-6-9(16-11(7)12)8(13)4-2-3-5-10(14)15/h6,8H,2-5,13H2,1H3,(H2,14,15).
What are the key properties of 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide?
6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide has a molecular weight of 260.79 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide is sourced from PubChem (CID 102764308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).