2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol

C14H23NOS — CID 106811106

IUPAC2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
SMILESCCC(CO)(CCCSc1ccccc1)NC
InChIInChI=1S/C14H23NOS/c1-3-14(12-16,15-2)10-7-11-17-13-8-5-4-6-9-13/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3
InChIKeyKSOPPKVFTNTKNH-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.92
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol

2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol (PubChem CID 106811106) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
PubChem CID106811106
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
SMILESCCC(CO)(CCCSc1ccccc1)NC
InChIInChI=1S/C14H23NOS/c1-3-14(12-16,15-2)10-7-11-17-13-8-5-4-6-9-13/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3
InChIKeyKSOPPKVFTNTKNH-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.92
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

5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106810962
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-phenylsulfanylbutanamide
CID 103602258
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106811132
2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol
CID 106810196
2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
CID 106810358
2-ethyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 106810940
2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol
CID 106811158
2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol
CID 106810884
5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809636
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol
CID 106810815
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810893
2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764831

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol (CID 106811106) is 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol is CCC(CO)(CCCSc1ccccc1)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol?
The InChIKey is KSOPPKVFTNTKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-14(12-16,15-2)10-7-11-17-13-8-5-4-6-9-13/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol?
2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol is sourced from PubChem (CID 106811106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).