(3-aminothiophen-2-yl)-propan-2-ylcarbamic acid

C8H12N2O2S — CID 54323062

IUPAC(3-aminothiophen-2-yl)-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)c1sccc1N
InChIInChI=1S/C8H12N2O2S/c1-5(2)10(8(11)12)7-6(9)3-4-13-7/h3-5H,9H2,1-2H3,(H,11,12)
InChIKeySSZLRXLJXCMQSW-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.22
Rot. Bonds2

About (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid

(3-aminothiophen-2-yl)-propan-2-ylcarbamic acid (PubChem CID 54323062) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-propan-2-ylcarbamic acid
PubChem CID54323062
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(3-aminothiophen-2-yl)-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)c1sccc1N
InChIInChI=1S/C8H12N2O2S/c1-5(2)10(8(11)12)7-6(9)3-4-13-7/h3-5H,9H2,1-2H3,(H,11,12)
InChIKeySSZLRXLJXCMQSW-UHFFFAOYSA-N
XLogP2.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid?
The IUPAC name of (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid (CID 54323062) is (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid.
What is the SMILES notation for (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid?
The canonical SMILES for (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid is CC(C)N(C(=O)O)c1sccc1N.
What is the InChIKey of (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid?
The InChIKey is SSZLRXLJXCMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(2)10(8(11)12)7-6(9)3-4-13-7/h3-5H,9H2,1-2H3,(H,11,12).
What are the key properties of (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid?
(3-aminothiophen-2-yl)-propan-2-ylcarbamic acid has a molecular weight of 200.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-propan-2-ylcarbamic acid is sourced from PubChem (CID 54323062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).