3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C15H21BrN2OS — CID 79654347

IUPAC3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(Sc2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2OS/c1-10(2)18-15(14(17)19)7-6-13(9-15)20-12-5-3-4-11(16)8-12/h3-5,8,10,13,18H,6-7,9H2,1-2H3,(H2,17,19)
InChIKeyJYDMDZGCSBLRJS-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.32
Rot. Bonds5

About 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79654347) has the molecular formula C15H21BrN2OS and a molecular weight of 357.32 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79654347
Molecular FormulaC15H21BrN2OS
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(Sc2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2OS/c1-10(2)18-15(14(17)19)7-6-13(9-15)20-12-5-3-4-11(16)8-12/h3-5,8,10,13,18H,6-7,9H2,1-2H3,(H2,17,19)
InChIKeyJYDMDZGCSBLRJS-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)sulfanyl-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79634675
methyl 3-(3-methylphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79645969
1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide
CID 79653438
3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636562
1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide
CID 79654622
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653797
1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide
CID 79653394
3-(3-bromophenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649989
3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 79635701
1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635325
3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654294
2-(3-bromophenyl)sulfanylpropanehydrazide
CID 63579968

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79654347) is 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CC(C)NC1(C(N)=O)CCC(Sc2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is JYDMDZGCSBLRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2OS/c1-10(2)18-15(14(17)19)7-6-13(9-15)20-12-5-3-4-11(16)8-12/h3-5,8,10,13,18H,6-7,9H2,1-2H3,(H2,17,19).
What are the key properties of 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 357.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79654347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).