2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol

C12H20N2OS — CID 64807026

IUPAC2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
SMILESCCCNC(CO)CCSc1ccccn1
InChIInChI=1S/C12H20N2OS/c1-2-7-13-11(10-15)6-9-16-12-5-3-4-8-14-12/h3-5,8,11,13,15H,2,6-7,9-10H2,1H3
InChIKeyXHZGAYMRXXDKIR-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.92
Rot. Bonds8

About 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol

2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol (PubChem CID 64807026) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
PubChem CID64807026
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
SMILESCCCNC(CO)CCSc1ccccn1
InChIInChI=1S/C12H20N2OS/c1-2-7-13-11(10-15)6-9-16-12-5-3-4-8-14-12/h3-5,8,11,13,15H,2,6-7,9-10H2,1H3
InChIKeyXHZGAYMRXXDKIR-UHFFFAOYSA-N
XLogP1.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
4-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)butan-1-ol
CID 64819232
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999
4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol
CID 64807835
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
ethyl 2-(methylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142823
3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
1-methyl-3-(2-pyridin-2-ylsulfanylethyl)thiourea
CID 110182038
4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol
CID 64805734

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol (CID 64807026) is 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol is CCCNC(CO)CCSc1ccccn1.
What is the InChIKey of 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol?
The InChIKey is XHZGAYMRXXDKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-7-13-11(10-15)6-9-16-12-5-3-4-8-14-12/h3-5,8,11,13,15H,2,6-7,9-10H2,1H3.
What are the key properties of 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol?
2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 64807026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).