3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol

C14H20N2OS — CID 114370676

IUPAC3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1cc2ccccc2[nH]1
InChIInChI=1S/C14H20N2OS/c1-9(2)14(15)12(8-17)18-13-7-10-5-3-4-6-11(10)16-13/h3-7,9,12,14,16-17H,8,15H2,1-2H3
InChIKeyFOVQPPYUKDLAJA-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.60
Rot. Bonds5

About 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol

3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol (PubChem CID 114370676) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol
PubChem CID114370676
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)Sc1cc2ccccc2[nH]1
InChIInChI=1S/C14H20N2OS/c1-9(2)14(15)12(8-17)18-13-7-10-5-3-4-6-11(10)16-13/h3-7,9,12,14,16-17H,8,15H2,1-2H3
InChIKeyFOVQPPYUKDLAJA-UHFFFAOYSA-N
XLogP2.60
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methyl-2-phenylsulfanylpentan-1-ol
CID 114369992
3-(1H-indol-2-ylsulfanyl)butanenitrile
CID 21397125
3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol
CID 64898105
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
1-bromo-3-(1H-indol-2-ylsulfanyl)propan-2-ol
CID 14735591
1-[2-(1H-indol-2-ylsulfanyl)phenyl]propan-1-one
CID 115994771
methyl 2-(1H-indol-2-ylsulfanyl)acetate
CID 10727704
dimethyl 2-[2-(3,4-dichlorophenyl)-2-(1H-indol-2-ylsulfanyl)ethyl]propanedioate
CID 156783559
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696
(2S)-2-amino-N-(1H-indol-2-ylmethyl)-3,3-dimethylbutanamide
CID 90653128
3-hydroxy-4-(1H-indol-2-ylsulfanyl)butanoic acid
CID 82776961
1-(1H-indol-2-yl)butan-2-amine
CID 54026892

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol (CID 114370676) is 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol is CC(C)C(N)C(CO)Sc1cc2ccccc2[nH]1.
What is the InChIKey of 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol?
The InChIKey is FOVQPPYUKDLAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9(2)14(15)12(8-17)18-13-7-10-5-3-4-6-11(10)16-13/h3-7,9,12,14,16-17H,8,15H2,1-2H3.
What are the key properties of 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol?
3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1H-indol-2-ylsulfanyl)-4-methylpentan-1-ol is sourced from PubChem (CID 114370676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).