4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide

C15H30N2OS — CID 102629260

IUPAC4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
SMILESCSC(C)CCNC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H30N2OS/c1-10(19-5)8-9-17-14(18)12-6-7-13(16)11(2)15(12,3)4/h10-13H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyPPEXPTNBFSJMLP-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.64
Rot. Bonds5

About 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide (PubChem CID 102629260) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
PubChem CID102629260
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
SMILESCSC(C)CCNC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H30N2OS/c1-10(19-5)8-9-17-14(18)12-6-7-13(16)11(2)15(12,3)4/h10-13H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyPPEXPTNBFSJMLP-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2,3-trimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 106428319
N-ethyl-2-[3-(ethylamino)-2,6-dimethylcyclohexyl]acetamide
CID 23529450
3-methyl-N-(3-methylsulfanylpropyl)-3-propan-2-ylcyclohexane-1-carboxamide
CID 91112055
3-methyl-N-(2-methylsulfanylethyl)-3-propan-2-ylcyclohexane-1-carboxamide
CID 91495124
(1R,2S,5R)-5-methyl-N-(3-methylsulfanylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 24955510
4-(3-Methylsulfanylpropylamino)cyclohexane-1-carboxamide
CID 43748737
N-methyl-4-[(2-methylsulfanylacetyl)amino]cyclohexane-1-carboxamide
CID 47469304
4-amino-N-(2-methyl-3-methylsulfanylpropyl)cyclohexane-1-carboxamide
CID 63957581
4-amino-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 63957779
4-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide
CID 63959963
4-amino-3-methyl-N-(2,3,3-trimethylbutyl)cyclohexane-1-carboxamide
CID 83146517
4-amino-2-methyl-N-(2,3,3-trimethylbutyl)cyclohexane-1-carboxamide
CID 83146691

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide (CID 102629260) is 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide is CSC(C)CCNC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide?
The InChIKey is PPEXPTNBFSJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-10(19-5)8-9-17-14(18)12-6-7-13(16)11(2)15(12,3)4/h10-13H,6-9,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide has a molecular weight of 286.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102629260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).