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

C12H19ClN2OS — CID 113317893

IUPAC1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CSc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2OS/c1-9(2)5-14-7-11(16)8-17-12-4-3-10(13)6-15-12/h3-4,6,9,11,14,16H,5,7-8H2,1-2H3
InChIKeyCPXFTQCYRVWAEY-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.43
Rot. Bonds7

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

1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol (PubChem CID 113317893) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol
PubChem CID113317893
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CSc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2OS/c1-9(2)5-14-7-11(16)8-17-12-4-3-10(13)6-15-12/h3-4,6,9,11,14,16H,5,7-8H2,1-2H3
InChIKeyCPXFTQCYRVWAEY-UHFFFAOYSA-N
XLogP2.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317896
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
CID 80639485
1-(4-fluorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317842
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol
CID 115476348
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)propan-1-ol
CID 64820656
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine
CID 64631470
1-[(5-chloro-2-pyridinyl)sulfanyl]-3-methoxypropan-2-amine
CID 107511471
2-[4-[3-[(5-chloro-2-pyridinyl)sulfanyl]-2-hydroxypropoxy]phenyl]acetonitrile
CID 110887805
4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631271
N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114864894
3-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]sulfanylpropane-1,2-diol
CID 114865025

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol (CID 113317893) is 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(O)CSc1ccc(Cl)cn1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is CPXFTQCYRVWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-9(2)5-14-7-11(16)8-17-12-4-3-10(13)6-15-12/h3-4,6,9,11,14,16H,5,7-8H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol?
1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 274.82 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)sulfanyl]-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 113317893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).