3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide

C15H19BrN2OS — CID 63921638

IUPAC3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide
SMILESNC(=O)C(CSc1cccc(Br)c1)(NC1CC1)C1CC1
InChIInChI=1S/C15H19BrN2OS/c16-11-2-1-3-13(8-11)20-9-15(14(17)19,10-4-5-10)18-12-6-7-12/h1-3,8,10,12,18H,4-7,9H2,(H2,17,19)
InChIKeyHBKQKRSWXOTRDX-UHFFFAOYSA-N
MW355.30 g/mol
LogP2.93
Rot. Bonds7

About 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide

3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide (PubChem CID 63921638) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide
PubChem CID63921638
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide
SMILESNC(=O)C(CSc1cccc(Br)c1)(NC1CC1)C1CC1
InChIInChI=1S/C15H19BrN2OS/c16-11-2-1-3-13(8-11)20-9-15(14(17)19,10-4-5-10)18-12-6-7-12/h1-3,8,10,12,18H,4-7,9H2,(H2,17,19)
InChIKeyHBKQKRSWXOTRDX-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
CID 63916695
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921227
5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 62804810
methyl 2-amino-3-(3-bromophenyl)sulfanyl-2-cyclopropylpropanoate
CID 63918691
2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
CID 63916309
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394
2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 63916317
ethyl 2-cyclopropyl-2-(ethylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921422
methyl 3-(3-chlorophenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63919465
N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62803375
2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
CID 63917104
3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63916885

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The IUPAC name of 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide (CID 63921638) is 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The canonical SMILES for 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide is NC(=O)C(CSc1cccc(Br)c1)(NC1CC1)C1CC1.
What is the InChIKey of 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide?
The InChIKey is HBKQKRSWXOTRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c16-11-2-1-3-13(8-11)20-9-15(14(17)19,10-4-5-10)18-12-6-7-12/h1-3,8,10,12,18H,4-7,9H2,(H2,17,19).
What are the key properties of 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide?
3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide has a molecular weight of 355.30 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide is sourced from PubChem (CID 63921638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).