5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide

C15H21BrN2OS — CID 62804810

IUPAC5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
SMILESCC(CCCSc1cccc(Br)c1)(NC1CC1)C(N)=O
InChIInChI=1S/C15H21BrN2OS/c1-15(14(17)19,18-12-6-7-12)8-3-9-20-13-5-2-4-11(16)10-13/h2,4-5,10,12,18H,3,6-9H2,1H3,(H2,17,19)
InChIKeyXCNNNNSVWVJNMH-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.32
Rot. Bonds8

About 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide

5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide (PubChem CID 62804810) has the molecular formula C15H21BrN2OS and a molecular weight of 357.32 g/mol. Its IUPAC name is 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide.

Molecular Properties

Compound Name5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
PubChem CID62804810
Molecular FormulaC15H21BrN2OS
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
SMILESCC(CCCSc1cccc(Br)c1)(NC1CC1)C(N)=O
InChIInChI=1S/C15H21BrN2OS/c1-15(14(17)19,18-12-6-7-12)8-3-9-20-13-5-2-4-11(16)10-13/h2,4-5,10,12,18H,3,6-9H2,1H3,(H2,17,19)
InChIKeyXCNNNNSVWVJNMH-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 62805542
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394
3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 63921638
5-(3-bromophenyl)sulfanyl-2,2-dimethylpentanoic acid
CID 65259979
2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
CID 63696970
N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62803375
2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64808531
6-(3-bromophenyl)sulfanyl-2,2-dimethylhexanimidamide
CID 106712830
5-(3-bromophenyl)sulfanylpentan-2-one
CID 62804795
2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
CID 62232161
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64806302
methyl 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)butanoate
CID 62804447

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide?
The IUPAC name of 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide (CID 62804810) is 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide.
What is the SMILES notation for 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide?
The canonical SMILES for 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide is CC(CCCSc1cccc(Br)c1)(NC1CC1)C(N)=O.
What is the InChIKey of 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide?
The InChIKey is XCNNNNSVWVJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2OS/c1-15(14(17)19,18-12-6-7-12)8-3-9-20-13-5-2-4-11(16)10-13/h2,4-5,10,12,18H,3,6-9H2,1H3,(H2,17,19).
What are the key properties of 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide?
5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide has a molecular weight of 357.32 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide is sourced from PubChem (CID 62804810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).