2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate

C13H24N2O2S — CID 142239438

IUPAC2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate
SMILESCC(C)COC(=O)/N=C(/C(C)C)N1CCSCC1
InChIInChI=1S/C13H24N2O2S/c1-10(2)9-17-13(16)14-12(11(3)4)15-5-7-18-8-6-15/h10-11H,5-9H2,1-4H3/b14-12-
InChIKeyGWTWLPXXYPJNFB-OWBHPGMISA-N
MW272.41 g/mol
LogP2.88
Rot. Bonds3

About 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate

2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate (PubChem CID 142239438) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Name2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate
PubChem CID142239438
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate
SMILESCC(C)COC(=O)/N=C(/C(C)C)N1CCSCC1
InChIInChI=1S/C13H24N2O2S/c1-10(2)9-17-13(16)14-12(11(3)4)15-5-7-18-8-6-15/h10-11H,5-9H2,1-4H3/b14-12-
InChIKeyGWTWLPXXYPJNFB-OWBHPGMISA-N
XLogP2.88
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-(diaminomethylidene)carbamate
CID 87606933
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one
CID 86996424
2-methylpropyl N-ethoxycarbonyliminocarbamate
CID 140646450
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
(2S)-2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419045
2-amino-3-methoxy-1-(1,4-thiazepan-4-yl)propan-1-one;hydrochloride
CID 120986257
2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419316

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate?
The IUPAC name of 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate (CID 142239438) is 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate?
The canonical SMILES for 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate is CC(C)COC(=O)/N=C(/C(C)C)N1CCSCC1.
What is the InChIKey of 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate?
The InChIKey is GWTWLPXXYPJNFB-OWBHPGMISA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10(2)9-17-13(16)14-12(11(3)4)15-5-7-18-8-6-15/h10-11H,5-9H2,1-4H3/b14-12-.
What are the key properties of 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate?
2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate has a molecular weight of 272.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (NZ)-N-(2-methyl-1-thiomorpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 142239438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).