2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol

C13H23NOS2 — CID 64820619

IUPAC2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
SMILESCC(C)NC(C)(CO)CCCSc1cccs1
InChIInChI=1S/C13H23NOS2/c1-11(2)14-13(3,10-15)7-5-9-17-12-6-4-8-16-12/h4,6,8,11,14-15H,5,7,9-10H2,1-3H3
InChIKeyGFHXBUOUTNILAC-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.37
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol

2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol (PubChem CID 64820619) has the molecular formula C13H23NOS2 and a molecular weight of 273.47 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
PubChem CID64820619
Molecular FormulaC13H23NOS2
Molecular Weight273.47 g/mol
Exact Mass273.12
IUPAC Name2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
SMILESCC(C)NC(C)(CO)CCCSc1cccs1
InChIInChI=1S/C13H23NOS2/c1-11(2)14-13(3,10-15)7-5-9-17-12-6-4-8-16-12/h4,6,8,11,14-15H,5,7,9-10H2,1-3H3
InChIKeyGFHXBUOUTNILAC-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.37
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

5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64821321
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219
2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol
CID 79361582
2-(ethylamino)-2-methyl-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64819711
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805668
2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 115920460
5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64820822
2-ethyl-2-(ethylamino)-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807267
N-(thiophen-2-ylsulfanylmethyl)propan-2-amine
CID 117032909
2-(cyclopropylamino)-2-ethyl-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol (CID 64820619) is 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol is CC(C)NC(C)(CO)CCCSc1cccs1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol?
The InChIKey is GFHXBUOUTNILAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS2/c1-11(2)14-13(3,10-15)7-5-9-17-12-6-4-8-16-12/h4,6,8,11,14-15H,5,7,9-10H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol?
2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol has a molecular weight of 273.47 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol is sourced from PubChem (CID 64820619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).