1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine

C15H25BrN2S — CID 104802361

IUPAC1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(CSCC(C)C)Cc1cncc(Br)c1
InChIInChI=1S/C15H25BrN2S/c1-4-5-18-15(11-19-10-12(2)3)7-13-6-14(16)9-17-8-13/h6,8-9,12,15,18H,4-5,7,10-11H2,1-3H3
InChIKeyUCPCMPAIWXCNKX-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.14
Rot. Bonds9

About 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine

1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine (PubChem CID 104802361) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
PubChem CID104802361
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(CSCC(C)C)Cc1cncc(Br)c1
InChIInChI=1S/C15H25BrN2S/c1-4-5-18-15(11-19-10-12(2)3)7-13-6-14(16)9-17-8-13/h6,8-9,12,15,18H,4-5,7,10-11H2,1-3H3
InChIKeyUCPCMPAIWXCNKX-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801501
1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65478586
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine (CID 104802361) is 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine is CCCNC(CSCC(C)C)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The InChIKey is UCPCMPAIWXCNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-4-5-18-15(11-19-10-12(2)3)7-13-6-14(16)9-17-8-13/h6,8-9,12,15,18H,4-5,7,10-11H2,1-3H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine has a molecular weight of 345.35 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine is sourced from PubChem (CID 104802361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).