3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol

C11H19N3OS — CID 64928338

IUPAC3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCCCNC(CCO)CSc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-2-4-13-10(3-7-15)9-16-11-8-12-5-6-14-11/h5-6,8,10,13,15H,2-4,7,9H2,1H3
InChIKeyDWEIHDBTYDRFRP-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.32
Rot. Bonds8

About 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol

3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol (PubChem CID 64928338) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
PubChem CID64928338
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCCCNC(CCO)CSc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-2-4-13-10(3-7-15)9-16-11-8-12-5-6-14-11/h5-6,8,10,13,15H,2-4,7,9H2,1H3
InChIKeyDWEIHDBTYDRFRP-UHFFFAOYSA-N
XLogP1.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-1-pyrazin-2-ylsulfanylpentan-2-amine
CID 64625824
N-[1-(4-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64626215
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
4-[(3-bromo-2-pyridinyl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927358
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 65041207
2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
CID 64807026
4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol
CID 64898439
4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol
CID 64928528
3-pyrazin-2-ylsulfanylbutan-1-ol
CID 66138101
ethyl 2-methyl-3-pyrazin-2-ylsulfanylpropanoate
CID 63381166
N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
CID 103068567

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol (CID 64928338) is 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol is CCCNC(CCO)CSc1cnccn1.
What is the InChIKey of 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The InChIKey is DWEIHDBTYDRFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-4-13-10(3-7-15)9-16-11-8-12-5-6-14-11/h5-6,8,10,13,15H,2-4,7,9H2,1H3.
What are the key properties of 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 64928338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).