3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol

C13H20N2OS — CID 114057301

IUPAC3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1ncccc1CNC1CC1
InChIInChI=1S/C13H20N2OS/c1-10(8-16)9-17-13-11(3-2-6-14-13)7-15-12-4-5-12/h2-3,6,10,12,15-16H,4-5,7-9H2,1H3
InChIKeyZOZFVEXTZVDZAD-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.05
Rot. Bonds7

About 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol

3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol (PubChem CID 114057301) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
PubChem CID114057301
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1ncccc1CNC1CC1
InChIInChI=1S/C13H20N2OS/c1-10(8-16)9-17-13-11(3-2-6-14-13)7-15-12-4-5-12/h2-3,6,10,12,15-16H,4-5,7-9H2,1H3
InChIKeyZOZFVEXTZVDZAD-UHFFFAOYSA-N
XLogP2.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol with MolForge

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Related Compounds

3-[2-[(cyclopropylamino)methyl]-3-fluorophenyl]sulfanyl-2-methylpropan-1-ol
CID 114066345
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
methyl 2-(3-hydroxy-2-methylpropyl)sulfanylpyridine-3-carboxylate
CID 66105968
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786
N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]cyclopropanamine
CID 114057327
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine
CID 114198995
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805325
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol (CID 114057301) is 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1ncccc1CNC1CC1.
What is the InChIKey of 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol?
The InChIKey is ZOZFVEXTZVDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(8-16)9-17-13-11(3-2-6-14-13)7-15-12-4-5-12/h2-3,6,10,12,15-16H,4-5,7-9H2,1H3.
What are the key properties of 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol?
3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol has a molecular weight of 252.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 114057301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).