tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate

C16H28N2O3S — CID 22591371

IUPACtert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)N2CCSCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-16(2,3)21-15(20)17-13-6-4-12(5-7-13)14(19)18-8-10-22-11-9-18/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeyRZPQFDLKPFFWPD-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate

tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate (PubChem CID 22591371) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate
PubChem CID22591371
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)N2CCSCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-16(2,3)21-15(20)17-13-6-4-12(5-7-13)14(19)18-8-10-22-11-9-18/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeyRZPQFDLKPFFWPD-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate (CID 22591371) is tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCSCC2)CC1.
What is the InChIKey of tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate?
The InChIKey is RZPQFDLKPFFWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-16(2,3)21-15(20)17-13-6-4-12(5-7-13)14(19)18-8-10-22-11-9-18/h12-13H,4-11H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate?
tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate has a molecular weight of 328.48 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate is sourced from PubChem (CID 22591371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).