N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine

C14H19NS — CID 62871773

IUPACN-(2,3-dihydro-1H-inden-5-yl)thian-3-amine
SMILESc1cc2c(cc1NC1CCCSC1)CCC2
InChIInChI=1S/C14H19NS/c1-3-11-6-7-13(9-12(11)4-1)15-14-5-2-8-16-10-14/h6-7,9,14-15H,1-5,8,10H2
InChIKeyCVINBSJMCJSNHF-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.48
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine

N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine (PubChem CID 62871773) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)thian-3-amine
PubChem CID62871773
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)thian-3-amine
SMILESc1cc2c(cc1NC1CCCSC1)CCC2
InChIInChI=1S/C14H19NS/c1-3-11-6-7-13(9-12(11)4-1)15-14-5-2-8-16-10-14/h6-7,9,14-15H,1-5,8,10H2
InChIKeyCVINBSJMCJSNHF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine
CID 137448864
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine
CID 113250129
4-(thian-3-ylamino)phenol
CID 62873090
(3S)-N-(3-bromo-4-fluorophenyl)thian-3-amine
CID 97358764
2,2-difluoro-N-(thian-3-yl)-1,3-benzodioxol-5-amine
CID 62871583
N-(thiolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
CID 115976225
N-(3-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 107447796
N-[4-chloro-3-(trifluoromethyl)phenyl]thian-3-amine
CID 55129445
N-(3,5-difluorophenyl)thian-3-amine
CID 62871053
(3S)-N-(4-methoxyphenyl)thian-3-amine
CID 94885728
4-N,4-N-diethyl-1-N-(thian-3-yl)benzene-1,4-diamine
CID 62873258

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine (CID 62871773) is N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine is c1cc2c(cc1NC1CCCSC1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine?
The InChIKey is CVINBSJMCJSNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-11-6-7-13(9-12(11)4-1)15-14-5-2-8-16-10-14/h6-7,9,14-15H,1-5,8,10H2.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine?
N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine has a molecular weight of 233.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine is sourced from PubChem (CID 62871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).