2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol

C16H25NOS — CID 64808531

IUPAC2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
SMILESCc1cccc(SCCCC(C)(CO)NC2CC2)c1
InChIInChI=1S/C16H25NOS/c1-13-5-3-6-15(11-13)19-10-4-9-16(2,12-18)17-14-7-8-14/h3,5-6,11,14,17-18H,4,7-10,12H2,1-2H3
InChIKeyPGCYSLYGZPRYDM-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.37
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol

2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol (PubChem CID 64808531) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
PubChem CID64808531
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
SMILESCc1cccc(SCCCC(C)(CO)NC2CC2)c1
InChIInChI=1S/C16H25NOS/c1-13-5-3-6-15(11-13)19-10-4-9-16(2,12-18)17-14-7-8-14/h3,5-6,11,14,17-18H,4,7-10,12H2,1-2H3
InChIKeyPGCYSLYGZPRYDM-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64806302
2-(cyclopropylamino)-2-methyl-5-[(3-methylphenyl)methylsulfanyl]pentan-1-ol
CID 64808398
2-(cyclopropylamino)-6-(3,4-dimethylphenyl)sulfanyl-2-methylhexan-1-ol
CID 64805569
2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
CID 64802097
2-amino-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64806442
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612
5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 62804810
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
2-(cyclopropylamino)-2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604822
2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 64819014

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol (CID 64808531) is 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol is Cc1cccc(SCCCC(C)(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol?
The InChIKey is PGCYSLYGZPRYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-13-5-3-6-15(11-13)19-10-4-9-16(2,12-18)17-14-7-8-14/h3,5-6,11,14,17-18H,4,7-10,12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol?
2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol is sourced from PubChem (CID 64808531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).