2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol

C12H23N3OS — CID 64820866

IUPAC2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
SMILESCCNC(C)(CO)CCCSc1nccn1C
InChIInChI=1S/C12H23N3OS/c1-4-14-12(2,10-16)6-5-9-17-11-13-7-8-15(11)3/h7-8,14,16H,4-6,9-10H2,1-3H3
InChIKeyHPCWFTFMPFOMKF-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.65
Rot. Bonds8

About 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol

2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol (PubChem CID 64820866) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
PubChem CID64820866
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
SMILESCCNC(C)(CO)CCCSc1nccn1C
InChIInChI=1S/C12H23N3OS/c1-4-14-12(2,10-16)6-5-9-17-11-13-7-8-15(11)3/h7-8,14,16H,4-6,9-10H2,1-3H3
InChIKeyHPCWFTFMPFOMKF-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-methyl-5-pyrazol-1-ylpentan-1-ol
CID 64811318
N-tert-butyl-4-(1-methylimidazol-2-yl)sulfanylbutan-1-amine
CID 62577482
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64820426
3,3-dimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 60697535
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64806963
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
CID 86262337
2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64819737
2-methyl-2-(methylamino)-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604816
2-(ethylamino)-2-methyl-5-(5-methylpyrazol-1-yl)pentan-1-ol
CID 64809273
2-(ethylamino)-5-imidazol-1-yl-2-methylpentan-1-ol
CID 64809006
2-ethyl-5-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)pentanenitrile
CID 106805102

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol (CID 64820866) is 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol is CCNC(C)(CO)CCCSc1nccn1C.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol?
The InChIKey is HPCWFTFMPFOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-4-14-12(2,10-16)6-5-9-17-11-13-7-8-15(11)3/h7-8,14,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol?
2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol has a molecular weight of 257.40 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 64820866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).