N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide

C12H24N2O2S — CID 71859678

IUPACN-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCOCCC(C)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C12H24N2O2S/c1-10(5-7-16-4)13-11(15)14-6-8-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyGJHZYJQGIFIQMI-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.95
Rot. Bonds4

About N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide

N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide (PubChem CID 71859678) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
PubChem CID71859678
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCOCCC(C)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C12H24N2O2S/c1-10(5-7-16-4)13-11(15)14-6-8-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyGJHZYJQGIFIQMI-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859652
2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
CID 71859672
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiomorpholine-4-carboxamide
CID 71923221
N-[3-(difluoromethoxy)propyl]thiomorpholine-4-carboxamide
CID 121526524
N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859654
3-ethyl-N-(4-ethylsulfanylbutan-2-yl)morpholine-4-carboxamide
CID 71867549
2-ethyl-N-(4-methoxybutyl)thiomorpholine-4-carboxamide
CID 72116718
N-(3-butoxypropylcarbamoyl)-N-(2-thiomorpholin-4-ylethyl)formamide
CID 91009066
N-(4-methoxybutyl)thiomorpholine-4-carboxamide
CID 52656741
N-(1-methoxy-3-methylbutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859668
2,2-dimethyl-N-(3-propan-2-yloxypropyl)thiomorpholine-4-carboxamide
CID 71859691
N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 71869787

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide (CID 71859678) is N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide is COCCC(C)NC(=O)N1CCSC(C)(C)C1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide?
The InChIKey is GJHZYJQGIFIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(5-7-16-4)13-11(15)14-6-8-17-12(2,3)9-14/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide?
N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2,2-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71859678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).