tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate

C18H34N2O2S — CID 103785659

IUPACtert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate
SMILESCSC1CCCCC1NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2S/c1-18(2,3)22-17(21)20-14-11-9-13(10-12-14)19-15-7-5-6-8-16(15)23-4/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyFELPPUXFJWWBHV-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.09
Rot. Bonds4

About tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate (PubChem CID 103785659) has the molecular formula C18H34N2O2S and a molecular weight of 342.55 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate
PubChem CID103785659
Molecular FormulaC18H34N2O2S
Molecular Weight342.55 g/mol
Exact Mass342.23
IUPAC Nametert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate
SMILESCSC1CCCCC1NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2S/c1-18(2,3)22-17(21)20-14-11-9-13(10-12-14)19-15-7-5-6-8-16(15)23-4/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyFELPPUXFJWWBHV-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103783515
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate (CID 103785659) is tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate is CSC1CCCCC1NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate?
The InChIKey is FELPPUXFJWWBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2S/c1-18(2,3)22-17(21)20-14-11-9-13(10-12-14)19-15-7-5-6-8-16(15)23-4/h13-16,19H,5-12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate has a molecular weight of 342.55 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-methylsulfanylcyclohexyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 103785659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).