1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol

C11H18N2OS — CID 103089951

IUPAC1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccnc(N)c1
InChIInChI=1S/C11H18N2OS/c1-15-6-2-3-10(14)7-9-4-5-13-11(12)8-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H2,12,13)
InChIKeySHWNDASVCAFYEC-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.71
Rot. Bonds6

About 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol

1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol (PubChem CID 103089951) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol
PubChem CID103089951
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccnc(N)c1
InChIInChI=1S/C11H18N2OS/c1-15-6-2-3-10(14)7-9-4-5-13-11(12)8-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H2,12,13)
InChIKeySHWNDASVCAFYEC-UHFFFAOYSA-N
XLogP1.71
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-pyridinyl)-5-methoxypentan-2-ol
CID 65091967
1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089799
1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol
CID 79087656
1-(3-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089773
5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
CID 103089755
3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol
CID 112575631
2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114556816
4-(2-hydrazinylpropyl)pyridin-2-amine
CID 105201271
1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052780
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950454
1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol?
The IUPAC name of 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol (CID 103089951) is 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol is CSCCCC(O)Cc1ccnc(N)c1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol?
The InChIKey is SHWNDASVCAFYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-15-6-2-3-10(14)7-9-4-5-13-11(12)8-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H2,12,13).
What are the key properties of 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol?
1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-5-methylsulfanylpentan-2-ol is sourced from PubChem (CID 103089951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).