2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol

C14H22N2OS — CID 64808268

IUPAC2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)Sc1ccccn1
InChIInChI=1S/C14H22N2OS/c1-11(18-13-5-3-4-8-15-13)9-14(2,10-17)16-12-6-7-12/h3-5,8,11-12,16-17H,6-7,9-10H2,1-2H3
InChIKeyDIKSNBQQHIUVNX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.46
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol

2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol (PubChem CID 64808268) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
PubChem CID64808268
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)Sc1ccccn1
InChIInChI=1S/C14H22N2OS/c1-11(18-13-5-3-4-8-15-13)9-14(2,10-17)16-12-6-7-12/h3-5,8,11-12,16-17H,6-7,9-10H2,1-2H3
InChIKeyDIKSNBQQHIUVNX-UHFFFAOYSA-N
XLogP2.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64806184
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 64807747
2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
CID 64709128
2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol
CID 64807049
2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
CID 64807637
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64712154
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64704367
2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol
CID 64807876
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64807801
(1S,2S)-2-tert-butylsulfanyl-1-cyclohexyl-2-pyridin-2-ylsulfanylethanol
CID 134930390
2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
CID 64807025

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol (CID 64808268) is 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol is CC(CC(C)(CO)NC1CC1)Sc1ccccn1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol?
The InChIKey is DIKSNBQQHIUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(18-13-5-3-4-8-15-13)9-14(2,10-17)16-12-6-7-12/h3-5,8,11-12,16-17H,6-7,9-10H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol?
2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol has a molecular weight of 266.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol is sourced from PubChem (CID 64808268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).