[2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid

C12H14BrNO2S — CID 122636531

IUPAC[2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid
SMILESO=C(O)N(CC1CC1)C1CC1c1ccc(Br)s1
InChIInChI=1S/C12H14BrNO2S/c13-11-4-3-10(17-11)8-5-9(8)14(12(15)16)6-7-1-2-7/h3-4,7-9H,1-2,5-6H2,(H,15,16)
InChIKeyRSFIXJUNGXDOLC-UHFFFAOYSA-N
MW316.22 g/mol
LogP3.76
Rot. Bonds4

About [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid

[2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid (PubChem CID 122636531) has the molecular formula C12H14BrNO2S and a molecular weight of 316.22 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid
PubChem CID122636531
Molecular FormulaC12H14BrNO2S
Molecular Weight316.22 g/mol
Exact Mass314.99
IUPAC Name[2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid
SMILESO=C(O)N(CC1CC1)C1CC1c1ccc(Br)s1
InChIInChI=1S/C12H14BrNO2S/c13-11-4-3-10(17-11)8-5-9(8)14(12(15)16)6-7-1-2-7/h3-4,7-9H,1-2,5-6H2,(H,15,16)
InChIKeyRSFIXJUNGXDOLC-UHFFFAOYSA-N
XLogP3.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid?
The IUPAC name of [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid (CID 122636531) is [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid?
The canonical SMILES for [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid is O=C(O)N(CC1CC1)C1CC1c1ccc(Br)s1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid?
The InChIKey is RSFIXJUNGXDOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2S/c13-11-4-3-10(17-11)8-5-9(8)14(12(15)16)6-7-1-2-7/h3-4,7-9H,1-2,5-6H2,(H,15,16).
What are the key properties of [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid?
[2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid has a molecular weight of 316.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid is sourced from PubChem (CID 122636531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).