1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol

C15H23NOS — CID 103784431

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CSc2ccccc21
InChIInChI=1S/C15H23NOS/c1-15(2,3)8-11(17)9-16-13-10-18-14-7-5-4-6-12(13)14/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKeyNASRMZWYQHEODW-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol

1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol (PubChem CID 103784431) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol
PubChem CID103784431
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CSc2ccccc21
InChIInChI=1S/C15H23NOS/c1-15(2,3)8-11(17)9-16-13-10-18-14-7-5-4-6-12(13)14/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKeyNASRMZWYQHEODW-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide
CID 113424278
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 103784381
N-(4,4,4-trifluorobutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 113261768
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250
N-(2-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 107156979
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81300725
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301169
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345629

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol (CID 103784431) is 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNC1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is NASRMZWYQHEODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-15(2,3)8-11(17)9-16-13-10-18-14-7-5-4-6-12(13)14/h4-7,11,13,16-17H,8-10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol?
1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 265.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103784431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).