(2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid

C10H15NO2S — CID 70162116

IUPAC(2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1cccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)8(11-9(12)13)7-5-4-6-14-7/h4-6,8,11H,1-3H3,(H,12,13)
InChIKeyYWBZVGSMFACYSA-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.10
Rot. Bonds2

About (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid

(2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid (PubChem CID 70162116) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid.

Molecular Properties

Compound Name(2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid
PubChem CID70162116
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1cccs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)8(11-9(12)13)7-5-4-6-14-7/h4-6,8,11H,1-3H3,(H,12,13)
InChIKeyYWBZVGSMFACYSA-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid?
The IUPAC name of (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid (CID 70162116) is (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid.
What is the SMILES notation for (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid?
The canonical SMILES for (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid is CC(C)(C)C(NC(=O)O)c1cccs1.
What is the InChIKey of (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid?
The InChIKey is YWBZVGSMFACYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)8(11-9(12)13)7-5-4-6-14-7/h4-6,8,11H,1-3H3,(H,12,13).
What are the key properties of (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid?
(2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid has a molecular weight of 213.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-thiophen-2-ylpropyl)carbamic acid is sourced from PubChem (CID 70162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).