3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide

C14H19BrN2OS — CID 79654294

IUPAC3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(Sc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2OS/c1-2-17-14(13(16)18)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,17H,2,7-9H2,1H3,(H2,16,18)
InChIKeyDSMYOZGZEGHMFV-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.93
Rot. Bonds5

About 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide

3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 79654294) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID79654294
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(Sc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2OS/c1-2-17-14(13(16)18)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,17H,2,7-9H2,1H3,(H2,16,18)
InChIKeyDSMYOZGZEGHMFV-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 79635712
1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
CID 79653434
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79647837
methyl 3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylate
CID 79654313
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide
CID 79653406
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol
CID 79640217
3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79645704
1-(ethylamino)-3-(furan-2-ylmethylsulfanyl)cyclopentane-1-carboxamide
CID 79653744
3-[(3-bromo-2-pyridinyl)sulfanyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79656899
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654009
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide (CID 79654294) is 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(Sc2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is DSMYOZGZEGHMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-2-17-14(13(16)18)8-7-10(9-14)19-12-6-4-3-5-11(12)15/h3-6,10,17H,2,7-9H2,1H3,(H2,16,18).
What are the key properties of 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide?
3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 343.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79654294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).