tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate

C15H30N2O2S — CID 115972049

IUPACtert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
SMILESCSCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2S/c1-11(10-20-5)16-12-6-8-13(9-7-12)17-14(18)19-15(2,3)4/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeySMENZZYDBPRQIL-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.16
Rot. Bonds5

About tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate

tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate (PubChem CID 115972049) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
PubChem CID115972049
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
SMILESCSCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2S/c1-11(10-20-5)16-12-6-8-13(9-7-12)17-14(18)19-15(2,3)4/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeySMENZZYDBPRQIL-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972455
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
CID 103785652
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
CID 103785661
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
CID 176824150
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 143565004
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate (CID 115972049) is tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate is CSCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate?
The InChIKey is SMENZZYDBPRQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-11(10-20-5)16-12-6-8-13(9-7-12)17-14(18)19-15(2,3)4/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate has a molecular weight of 302.48 g/mol, XLogP of 3.16, 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-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 115972049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).