tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate

C17H34N2O2S — CID 104867074

IUPACtert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate
SMILESCCC(CSC)NC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2S/c1-6-14(12-22-5)19-15-10-8-7-9-13(15)11-18-16(20)21-17(2,3)4/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyDWVFWDRUMBSWKI-UHFFFAOYSA-N
MW330.54 g/mol
LogP3.80
Rot. Bonds7

About tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate (PubChem CID 104867074) has the molecular formula C17H34N2O2S and a molecular weight of 330.54 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate
PubChem CID104867074
Molecular FormulaC17H34N2O2S
Molecular Weight330.54 g/mol
Exact Mass330.23
IUPAC Nametert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate
SMILESCCC(CSC)NC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2S/c1-6-14(12-22-5)19-15-10-8-7-9-13(15)11-18-16(20)21-17(2,3)4/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyDWVFWDRUMBSWKI-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
CID 103949542
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809
tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
CID 113242246
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
CID 103695763
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate (CID 104867074) is tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate is CCC(CSC)NC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate?
The InChIKey is DWVFWDRUMBSWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2S/c1-6-14(12-22-5)19-15-10-8-7-9-13(15)11-18-16(20)21-17(2,3)4/h13-15,19H,6-12H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate has a molecular weight of 330.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 104867074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).