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

C16H32N2O2S — CID 115972455

IUPACtert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
SMILESCCSCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2S/c1-6-21-11-12(2)17-13-7-9-14(10-8-13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyWXZWNMQNLHGLPC-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.55
Rot. Bonds6

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

tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate (PubChem CID 115972455) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
PubChem CID115972455
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Nametert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
SMILESCCSCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2S/c1-6-21-11-12(2)17-13-7-9-14(10-8-13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyWXZWNMQNLHGLPC-UHFFFAOYSA-N
XLogP3.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
CID 103785652
tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
CID 103785661
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate
CID 69118169
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
tert-butyl 3-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103948614
tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
CID 176824150
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate (CID 115972455) is tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate is CCSCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate?
The InChIKey is WXZWNMQNLHGLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-6-21-11-12(2)17-13-7-9-14(10-8-13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate has a molecular weight of 316.51 g/mol, XLogP of 3.55, 6 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-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 115972455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).