2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol

C10H20N2OS — CID 106160645

IUPAC2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
SMILESCSC(CO)C(C)NC1=NCCCC1
InChIInChI=1S/C10H20N2OS/c1-8(9(7-13)14-2)12-10-5-3-4-6-11-10/h8-9,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyXSZTXGQRBHAZTH-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.27
Rot. Bonds4

About 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol

2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol (PubChem CID 106160645) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
PubChem CID106160645
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
SMILESCSC(CO)C(C)NC1=NCCCC1
InChIInChI=1S/C10H20N2OS/c1-8(9(7-13)14-2)12-10-5-3-4-6-11-10/h8-9,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyXSZTXGQRBHAZTH-UHFFFAOYSA-N
XLogP1.27
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The IUPAC name of 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol (CID 106160645) is 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol.
What is the SMILES notation for 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The canonical SMILES for 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol is CSC(CO)C(C)NC1=NCCCC1.
What is the InChIKey of 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
The InChIKey is XSZTXGQRBHAZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(9(7-13)14-2)12-10-5-3-4-6-11-10/h8-9,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol?
2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol has a molecular weight of 216.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol is sourced from PubChem (CID 106160645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).