4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide

C14H20N2OS — CID 60847909

IUPAC4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCSc1ccc(NC(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-13-8-6-12(7-9-13)16-14(17)10-2-4-11(15)5-3-10/h6-11H,2-5,15H2,1H3,(H,16,17)
InChIKeyVXKAIKYOOFSLNX-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.86
Rot. Bonds3

About 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide

4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide (PubChem CID 60847909) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
PubChem CID60847909
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCSc1ccc(NC(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-13-8-6-12(7-9-13)16-14(17)10-2-4-11(15)5-3-10/h6-11H,2-5,15H2,1H3,(H,16,17)
InChIKeyVXKAIKYOOFSLNX-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
N-(4-methylsulfanylphenyl)-4-oxocyclohexane-1-carboxamide
CID 115150357
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5432749
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
CID 106911851

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide (CID 60847909) is 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide is CSc1ccc(NC(=O)C2CCC(N)CC2)cc1.
What is the InChIKey of 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The InChIKey is VXKAIKYOOFSLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-13-8-6-12(7-9-13)16-14(17)10-2-4-11(15)5-3-10/h6-11H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide?
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60847909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).