3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine

C16H25NS — CID 64647689

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NS/c1-4-10-17-12(2)13(3)18-16-9-8-14-6-5-7-15(14)11-16/h8-9,11-13,17H,4-7,10H2,1-3H3
InChIKeyXKNUVGPICSZHHQ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.04
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine

3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine (PubChem CID 64647689) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
PubChem CID64647689
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NS/c1-4-10-17-12(2)13(3)18-16-9-8-14-6-5-7-15(14)11-16/h8-9,11-13,17H,4-7,10H2,1-3H3
InChIKeyXKNUVGPICSZHHQ-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
CID 55196306
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659
3-(4-tert-butylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64649240
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64705422
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
CID 64648663
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine
CID 64647431
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
CID 165440470
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine (CID 64647689) is 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine is CCCNC(C)C(C)Sc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine?
The InChIKey is XKNUVGPICSZHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-10-17-12(2)13(3)18-16-9-8-14-6-5-7-15(14)11-16/h8-9,11-13,17H,4-7,10H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine?
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine has a molecular weight of 263.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine is sourced from PubChem (CID 64647689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).