4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine

C10H16N2S — CID 105160708

IUPAC4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine
SMILESCSCCC(N)Cc1ccncc1
InChIInChI=1S/C10H16N2S/c1-13-7-4-10(11)8-9-2-5-12-6-3-9/h2-3,5-6,10H,4,7-8,11H2,1H3
InChIKeyJWQMFLRXGTXLFO-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.70
Rot. Bonds5

About 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine

4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine (PubChem CID 105160708) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine
PubChem CID105160708
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine
SMILESCSCCC(N)Cc1ccncc1
InChIInChI=1S/C10H16N2S/c1-13-7-4-10(11)8-9-2-5-12-6-3-9/h2-3,5-6,10H,4,7-8,11H2,1H3
InChIKeyJWQMFLRXGTXLFO-UHFFFAOYSA-N
XLogP1.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-ylhept-5-yn-2-amine
CID 104805272
1-pyridin-4-ylhex-5-yn-2-amine
CID 63642414
S-methyl (2S)-2-amino-3-pyridin-4-ylpropanethioate
CID 167273372
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine
CID 105169001
1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
CID 65476489
4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
CID 114530112
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
1-(furan-2-yl)-4-methylsulfanylbutan-2-amine
CID 105177500
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine (CID 105160708) is 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine is CSCCC(N)Cc1ccncc1.
What is the InChIKey of 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine?
The InChIKey is JWQMFLRXGTXLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-13-7-4-10(11)8-9-2-5-12-6-3-9/h2-3,5-6,10H,4,7-8,11H2,1H3.
What are the key properties of 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine?
4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine has a molecular weight of 196.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105160708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).