[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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Related Compounds

lithium;trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropane-1-carboxylic acid;hydroxide;hydrate
CID 172858770
2-[(5-bromothiophen-2-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656628
2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655931
cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid
CID 118304983
cyclopropylmethyl-[(1R,2S)-2-[4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304287
cyclopropylmethyl-[(1R,2S)-2-[2-fluoro-5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304186
cyclopropylmethyl-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]cyclopropyl]carbamic acid
CID 90214153
cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid
CID 90214357
2-[1-(5-bromothiophen-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054657
2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride
CID 118432686
3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol
CID 81416200
4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
CID 66867881

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).