tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate

C10H14N2O2S — CID 5399730

IUPACtert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C\c1cccs1
InChIInChI=1S/C10H14N2O2S/c1-10(2,3)14-9(13)12-11-7-8-5-4-6-15-8/h4-7H,1-3H3,(H,12,13)/b11-7-
InChIKeyNRWWYAMDBJLDCQ-XFFZJAGNSA-N
MW226.30 g/mol
LogP2.61
Rot. Bonds2

About tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate

tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate (PubChem CID 5399730) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
PubChem CID5399730
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nametert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C\c1cccs1
InChIInChI=1S/C10H14N2O2S/c1-10(2,3)14-9(13)12-11-7-8-5-4-6-15-8/h4-7H,1-3H3,(H,12,13)/b11-7-
InChIKeyNRWWYAMDBJLDCQ-XFFZJAGNSA-N
XLogP2.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate
CID 6391739
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
tert-butyl N-[(E)-1-benzothiophen-2-ylmethylideneamino]carbamate
CID 16731403
2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 11000179
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5427947
(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 5396029
N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3105093
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate (CID 5399730) is tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C\c1cccs1.
What is the InChIKey of tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate?
The InChIKey is NRWWYAMDBJLDCQ-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-10(2,3)14-9(13)12-11-7-8-5-4-6-15-8/h4-7H,1-3H3,(H,12,13)/b11-7-.
What are the key properties of tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate?
tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate has a molecular weight of 226.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate is sourced from PubChem (CID 5399730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).