tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate

C14H24N2O4S — CID 22747899

IUPACtert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate
SMILESC=CCS/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O4S/c1-8-9-21-10(15-11(17)19-13(2,3)4)16-12(18)20-14(5,6)7/h8H,1,9H2,2-7H3,(H,15,16,17,18)
InChIKeyFKKFAUKIWMIFGM-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate

tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate (PubChem CID 22747899) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate
PubChem CID22747899
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Nametert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate
SMILESC=CCS/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O4S/c1-8-9-21-10(15-11(17)19-13(2,3)4)16-12(18)20-14(5,6)7/h8H,1,9H2,2-7H3,(H,15,16,17,18)
InChIKeyFKKFAUKIWMIFGM-UHFFFAOYSA-N
XLogP3.72
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[N-[(2-methylpropan-2-yl)oxycarbonyl]-C-prop-2-enylsulfanylcarbonimidoyl]carbamic acid
CID 173224112
tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate
CID 5365171
tert-butyl (NE)-N-[diethylamino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 11099097
tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrrolidin-1-ylmethylidene]carbamate
CID 10710322
tert-butyl (NE)-N-[dimethylamino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 11087426
tert-butyl N-prop-2-enoylcarbamate
CID 14817908
tert-butyl N-hex-5-enoylcarbamate
CID 101433045
benzyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate
CID 19350662
benzyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate
CID 53242853
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylsulfanylpropanoate
CID 131884948
tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-prop-2-ynylcarbamimidoyl]carbamate
CID 123191301
tert-butyl N-[2-[[N-ethyl-N'-(2-prop-2-enylsulfanylethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111885139

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate?
The IUPAC name of tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate (CID 22747899) is tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate?
The canonical SMILES for tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate is C=CCS/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate?
The InChIKey is FKKFAUKIWMIFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-8-9-21-10(15-11(17)19-13(2,3)4)16-12(18)20-14(5,6)7/h8H,1,9H2,2-7H3,(H,15,16,17,18).
What are the key properties of tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate?
tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate has a molecular weight of 316.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-prop-2-enylsulfanylmethylidene]carbamate is sourced from PubChem (CID 22747899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).