1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide

C12H15BrN2OS — CID 79653434

IUPAC1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(Sc2ccccc2Br)C1
InChIInChI=1S/C12H15BrN2OS/c13-9-3-1-2-4-10(9)17-8-5-6-12(15,7-8)11(14)16/h1-4,8H,5-7,15H2,(H2,14,16)
InChIKeyMYDLRLCXMAGURA-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.28
Rot. Bonds3

About 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide

1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide (PubChem CID 79653434) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
PubChem CID79653434
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(Sc2ccccc2Br)C1
InChIInChI=1S/C12H15BrN2OS/c13-9-3-1-2-4-10(9)17-8-5-6-12(15,7-8)11(14)16/h1-4,8H,5-7,15H2,(H2,14,16)
InChIKeyMYDLRLCXMAGURA-UHFFFAOYSA-N
XLogP2.28
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide (CID 79653434) is 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide is NC(=O)C1(N)CCC(Sc2ccccc2Br)C1.
What is the InChIKey of 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is MYDLRLCXMAGURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c13-9-3-1-2-4-10(9)17-8-5-6-12(15,7-8)11(14)16/h1-4,8H,5-7,15H2,(H2,14,16).
What are the key properties of 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide?
1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79653434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).