N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine

C14H19NS — CID 103901811

IUPACN-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
SMILESCc1ccc2c(c1)C(NC1CCSC1)CC2
InChIInChI=1S/C14H19NS/c1-10-2-3-11-4-5-14(13(11)8-10)15-12-6-7-16-9-12/h2-3,8,12,14-15H,4-7,9H2,1H3
InChIKeySNIVOIIINXLMPS-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.08
Rot. Bonds2

About N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine

N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine (PubChem CID 103901811) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
PubChem CID103901811
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
SMILESCc1ccc2c(c1)C(NC1CCSC1)CC2
InChIInChI=1S/C14H19NS/c1-10-2-3-11-4-5-14(13(11)8-10)15-12-6-7-16-9-12/h2-3,8,12,14-15H,4-7,9H2,1H3
InChIKeySNIVOIIINXLMPS-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 75488646
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
CID 115889550
1-methyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-amine
CID 81300616
6-methyl-N-(3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 81300726
N-(1-cyclobutylethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113348472
[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclohexyl]methanol
CID 103785029
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 107582406
N-(6-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-5-amine
CID 107588055
N-cyclopropyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 112696340

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine?
The IUPAC name of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine (CID 103901811) is N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine.
What is the SMILES notation for N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine?
The canonical SMILES for N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine is Cc1ccc2c(c1)C(NC1CCSC1)CC2.
What is the InChIKey of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine?
The InChIKey is SNIVOIIINXLMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-10-2-3-11-4-5-14(13(11)8-10)15-12-6-7-16-9-12/h2-3,8,12,14-15H,4-7,9H2,1H3.
What are the key properties of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine?
N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine has a molecular weight of 233.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine is sourced from PubChem (CID 103901811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).