tert-butyl N-(morpholine-4-carbothioyl)carbamate

C10H18N2O3S — CID 24894287

IUPACtert-butyl N-(morpholine-4-carbothioyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=S)N1CCOCC1
InChIInChI=1S/C10H18N2O3S/c1-10(2,3)15-9(13)11-8(16)12-4-6-14-7-5-12/h4-7H2,1-3H3,(H,11,13,16)
InChIKeyGRVBGFNTTAEBHY-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.13
Rot. Bonds

About tert-butyl N-(morpholine-4-carbothioyl)carbamate

tert-butyl N-(morpholine-4-carbothioyl)carbamate (PubChem CID 24894287) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is tert-butyl N-(morpholine-4-carbothioyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(morpholine-4-carbothioyl)carbamate
PubChem CID24894287
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Nametert-butyl N-(morpholine-4-carbothioyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=S)N1CCOCC1
InChIInChI=1S/C10H18N2O3S/c1-10(2,3)15-9(13)11-8(16)12-4-6-14-7-5-12/h4-7H2,1-3H3,(H,11,13,16)
InChIKeyGRVBGFNTTAEBHY-UHFFFAOYSA-N
XLogP1.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-methylpiperidine-1-carbothioyl)carbamate
CID 91827763
2,2-diethyl-N,N'-bis(morpholine-4-carbothioyl)propanediamide
CID 27236176
4-tert-butyl-N-(morpholine-4-carbothioyl)benzamide
CID 2732832
(E)-N-(morpholine-4-carbothioyl)but-2-enamide
CID 13494821
tert-butyl N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 55452043
tert-butyl N-ethanethioylcarbamate
CID 20745944
tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
methyl 2-[1-(morpholine-4-carbothioylamino)ethylideneamino]acetate
CID 5368045
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 68663892
tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate
CID 59641605

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(morpholine-4-carbothioyl)carbamate?
The IUPAC name of tert-butyl N-(morpholine-4-carbothioyl)carbamate (CID 24894287) is tert-butyl N-(morpholine-4-carbothioyl)carbamate.
What is the SMILES notation for tert-butyl N-(morpholine-4-carbothioyl)carbamate?
The canonical SMILES for tert-butyl N-(morpholine-4-carbothioyl)carbamate is CC(C)(C)OC(=O)NC(=S)N1CCOCC1.
What is the InChIKey of tert-butyl N-(morpholine-4-carbothioyl)carbamate?
The InChIKey is GRVBGFNTTAEBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(2,3)15-9(13)11-8(16)12-4-6-14-7-5-12/h4-7H2,1-3H3,(H,11,13,16).
What are the key properties of tert-butyl N-(morpholine-4-carbothioyl)carbamate?
tert-butyl N-(morpholine-4-carbothioyl)carbamate has a molecular weight of 246.33 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(morpholine-4-carbothioyl)carbamate is sourced from PubChem (CID 24894287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).