(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide

C11H22N2OS — CID 140959042

IUPAC(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(C(C)C)CCS1
InChIInChI=1S/C11H22N2OS/c1-8(2)12-11(14)10-7-13(9(3)4)5-6-15-10/h8-10H,5-7H2,1-4H3,(H,12,14)/t10-/m1/s1
InChIKeyFNVZWTMVMJIOMC-SNVBAGLBSA-N
MW230.38 g/mol
LogP1.34
Rot. Bonds3

About (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide

(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide (PubChem CID 140959042) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide
PubChem CID140959042
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(C(C)C)CCS1
InChIInChI=1S/C11H22N2OS/c1-8(2)12-11(14)10-7-13(9(3)4)5-6-15-10/h8-10H,5-7H2,1-4H3,(H,12,14)/t10-/m1/s1
InChIKeyFNVZWTMVMJIOMC-SNVBAGLBSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide?
The IUPAC name of (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide (CID 140959042) is (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide?
The canonical SMILES for (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide is CC(C)NC(=O)[C@H]1CN(C(C)C)CCS1.
What is the InChIKey of (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide?
The InChIKey is FNVZWTMVMJIOMC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(2)12-11(14)10-7-13(9(3)4)5-6-15-10/h8-10H,5-7H2,1-4H3,(H,12,14)/t10-/m1/s1.
What are the key properties of (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide?
(2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,4-di(propan-2-yl)thiomorpholine-2-carboxamide is sourced from PubChem (CID 140959042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).