tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate

C19H36N2O2S — CID 114116040

IUPACtert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate
SMILESCSC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1
InChIInChI=1S/C19H36N2O2S/c1-18(2,3)23-17(22)21-16-10-8-15(9-11-16)20-14-19(24-4)12-6-5-7-13-19/h15-16,20H,5-14H2,1-4H3,(H,21,22)
InChIKeyDGDIKRWDGAOAPW-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.48
Rot. Bonds5

About tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate

tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate (PubChem CID 114116040) has the molecular formula C19H36N2O2S and a molecular weight of 356.58 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate
PubChem CID114116040
Molecular FormulaC19H36N2O2S
Molecular Weight356.58 g/mol
Exact Mass356.25
IUPAC Nametert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate
SMILESCSC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1
InChIInChI=1S/C19H36N2O2S/c1-18(2,3)23-17(22)21-16-10-8-15(9-11-16)20-14-19(24-4)12-6-5-7-13-19/h15-16,20H,5-14H2,1-4H3,(H,21,22)
InChIKeyDGDIKRWDGAOAPW-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[3-[(1-methylsulfanylcyclobutyl)methylamino]propyl]carbamate
CID 107272034
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 103715573
tert-butyl N-[3-[(2-methyloxolan-2-yl)methylamino]cyclobutyl]carbamate
CID 80562464
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate (CID 114116040) is tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate is CSC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CCCCC1.
What is the InChIKey of tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate?
The InChIKey is DGDIKRWDGAOAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2S/c1-18(2,3)23-17(22)21-16-10-8-15(9-11-16)20-14-19(24-4)12-6-5-7-13-19/h15-16,20H,5-14H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate has a molecular weight of 356.58 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 114116040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).