2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide

C14H28N2OS — CID 114116225

IUPAC2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide
SMILESCSC1(CNC(=O)CNC(C)(C)C)CCCCC1
InChIInChI=1S/C14H28N2OS/c1-13(2,3)16-10-12(17)15-11-14(18-4)8-6-5-7-9-14/h16H,5-11H2,1-4H3,(H,15,17)
InChIKeyKBHRYBKDUKGGGQ-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.56
Rot. Bonds5

About 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide

2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide (PubChem CID 114116225) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide
PubChem CID114116225
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide
SMILESCSC1(CNC(=O)CNC(C)(C)C)CCCCC1
InChIInChI=1S/C14H28N2OS/c1-13(2,3)16-10-12(17)15-11-14(18-4)8-6-5-7-9-14/h16H,5-11H2,1-4H3,(H,15,17)
InChIKeyKBHRYBKDUKGGGQ-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]acetamide
CID 114116154
1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea
CID 107265865
1,1-diethyl-3-[(1-methylsulfanylcyclohexyl)methyl]urea
CID 114115882
1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 107299347
2-(tert-butylamino)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 113264722
N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 114116236
2-hydroxy-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide
CID 107299483
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114116201
1-[(1-methylsulfanylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 114117430
ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
CID 107299283
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
1-[(1-methylsulfanylcyclopropyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114116883

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide (CID 114116225) is 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide is CSC1(CNC(=O)CNC(C)(C)C)CCCCC1.
What is the InChIKey of 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide?
The InChIKey is KBHRYBKDUKGGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-13(2,3)16-10-12(17)15-11-14(18-4)8-6-5-7-9-14/h16H,5-11H2,1-4H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide?
2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide has a molecular weight of 272.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 114116225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).