3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol

C10H15ClN2OS — CID 64820200

IUPAC3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CSc1ccc(Cl)cn1
InChIInChI=1S/C10H15ClN2OS/c1-10(6-14,12-2)7-15-9-4-3-8(11)5-13-9/h3-5,12,14H,6-7H2,1-2H3
InChIKeyDUTNTZWXHGHAEH-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.80
Rot. Bonds5

About 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol

3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64820200) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64820200
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CSc1ccc(Cl)cn1
InChIInChI=1S/C10H15ClN2OS/c1-10(6-14,12-2)7-15-9-4-3-8(11)5-13-9/h3-5,12,14H,6-7H2,1-2H3
InChIKeyDUTNTZWXHGHAEH-UHFFFAOYSA-N
XLogP1.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
CID 64821990
methyl 3-[(5-chloro-2-pyridinyl)sulfanyl]-2,2-dimethylpropanoate
CID 79629346
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64821321
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
CID 64807962
2-[(5-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 64556637
2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64807954
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanoic acid
CID 64703368
tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane
CID 22964739
1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol
CID 60884000
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
CID 64703761
2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
CID 64807025
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol
CID 64820656

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol (CID 64820200) is 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol is CNC(C)(CO)CSc1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is DUTNTZWXHGHAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-10(6-14,12-2)7-15-9-4-3-8(11)5-13-9/h3-5,12,14H,6-7H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol?
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 246.76 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64820200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).