4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide

C15H18N2OS — CID 60848684

IUPAC4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C15H18N2OS/c16-12-3-1-10(2-4-12)15(18)17-13-5-6-14-11(9-13)7-8-19-14/h5-10,12H,1-4,16H2,(H,17,18)
InChIKeyNPIURXICNYMMQT-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.36
Rot. Bonds2

About 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide

4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide (PubChem CID 60848684) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
PubChem CID60848684
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C15H18N2OS/c16-12-3-1-10(2-4-12)15(18)17-13-5-6-14-11(9-13)7-8-19-14/h5-10,12H,1-4,16H2,(H,17,18)
InChIKeyNPIURXICNYMMQT-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide (CID 60848684) is 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc3sccc3c2)CC1.
What is the InChIKey of 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide?
The InChIKey is NPIURXICNYMMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-12-3-1-10(2-4-12)15(18)17-13-5-6-14-11(9-13)7-8-19-14/h5-10,12H,1-4,16H2,(H,17,18).
What are the key properties of 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide?
4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60848684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).