2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate

C14H21NO2S — CID 72612293

IUPAC2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate
SMILESCC(C)COC(=O)N=C(c1cccs1)C(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-10(2)9-17-13(16)15-12(14(3,4)5)11-7-6-8-18-11/h6-8,10H,9H2,1-5H3
InChIKeyGKSKEKRGWHTOFG-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.38
Rot. Bonds3

About 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate

2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate (PubChem CID 72612293) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate
PubChem CID72612293
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate
SMILESCC(C)COC(=O)N=C(c1cccs1)C(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-10(2)9-17-13(16)15-12(14(3,4)5)11-7-6-8-18-11/h6-8,10H,9H2,1-5H3
InChIKeyGKSKEKRGWHTOFG-UHFFFAOYSA-N
XLogP4.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate
CID 70634885
2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate
CID 7264058
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
tert-butyl 2-methyl-3-oxo-3-thiophen-2-ylpropanoate
CID 66338153
3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
CID 91401022
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 3220275
2-methylpropyl N-(1-thiophen-3-ylpropylidene)carbamate
CID 162212649

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate?
The IUPAC name of 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate (CID 72612293) is 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate?
The canonical SMILES for 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate is CC(C)COC(=O)N=C(c1cccs1)C(C)(C)C.
What is the InChIKey of 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate?
The InChIKey is GKSKEKRGWHTOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(2)9-17-13(16)15-12(14(3,4)5)11-7-6-8-18-11/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate?
2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate has a molecular weight of 267.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate is sourced from PubChem (CID 72612293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).