3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol

C13H19NOS — CID 66135764

IUPAC3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol
SMILESCC(CCO)SC1Cc2ccccc2C1N
InChIInChI=1S/C13H19NOS/c1-9(6-7-15)16-12-8-10-4-2-3-5-11(10)13(12)14/h2-5,9,12-13,15H,6-8,14H2,1H3
InChIKeyLWGHWYITRLXNQA-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.12
Rot. Bonds4

About 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol

3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol (PubChem CID 66135764) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol
PubChem CID66135764
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol
SMILESCC(CCO)SC1Cc2ccccc2C1N
InChIInChI=1S/C13H19NOS/c1-9(6-7-15)16-12-8-10-4-2-3-5-11(10)13(12)14/h2-5,9,12-13,15H,6-8,14H2,1H3
InChIKeyLWGHWYITRLXNQA-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol with MolForge

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Related Compounds

2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 64612132
3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
CID 66136675
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
3-[(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)sulfanyl]butan-2-ol
CID 107772612
3-(2-aminocyclooctyl)sulfanylbutan-1-ol
CID 66138218
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
CID 64648963
2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64628290
3-(3-amino-2-methylcyclopentyl)sulfanylbutan-1-ol
CID 66135991

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol (CID 66135764) is 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol is CC(CCO)SC1Cc2ccccc2C1N.
What is the InChIKey of 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol?
The InChIKey is LWGHWYITRLXNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9(6-7-15)16-12-8-10-4-2-3-5-11(10)13(12)14/h2-5,9,12-13,15H,6-8,14H2,1H3.
What are the key properties of 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol?
3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 66135764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).