1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine

C15H17ClN2S — CID 103694453

IUPAC1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C15H17ClN2S/c1-2-12(17)10-11-6-5-9-18-15(11)19-14-8-4-3-7-13(14)16/h3-9,12H,2,10,17H2,1H3
InChIKeyNZMAYKVROVSBFP-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.17
Rot. Bonds5

About 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine

1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine (PubChem CID 103694453) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
PubChem CID103694453
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C15H17ClN2S/c1-2-12(17)10-11-6-5-9-18-15(11)19-14-8-4-3-7-13(14)16/h3-9,12H,2,10,17H2,1H3
InChIKeyNZMAYKVROVSBFP-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 114057597
2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol
CID 170892468
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine
CID 114866429
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine
CID 81160339
1-[4-(2-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 63818591
1-[2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 63817901
1-(2-chloro-6-pyridin-2-ylsulfanylphenyl)butan-2-amine
CID 55239874
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228
1-[3-chloro-2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114070513
1-[3-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 115982371
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114001168
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine (CID 103694453) is 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine is CCC(N)Cc1cccnc1Sc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The InChIKey is NZMAYKVROVSBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-2-12(17)10-11-6-5-9-18-15(11)19-14-8-4-3-7-13(14)16/h3-9,12H,2,10,17H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine has a molecular weight of 292.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 103694453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).