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

C15H21NS — CID 113250129

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine
SMILESc1cc2c(cc1CNC1CCCSC1)CCC2
InChIInChI=1S/C15H21NS/c1-3-13-7-6-12(9-14(13)4-1)10-16-15-5-2-8-17-11-15/h6-7,9,15-16H,1-5,8,10-11H2
InChIKeyMVHKLHIFRBBMHW-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.16
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine (PubChem CID 113250129) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine
PubChem CID113250129
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine
SMILESc1cc2c(cc1CNC1CCCSC1)CCC2
InChIInChI=1S/C15H21NS/c1-3-13-7-6-12(9-14(13)4-1)10-16-15-5-2-8-17-11-15/h6-7,9,15-16H,1-5,8,10-11H2
InChIKeyMVHKLHIFRBBMHW-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(thian-3-ylamino)methyl]benzene-1,2-diol
CID 115869231
N-[(4-bromo-3-methylphenyl)methyl]thian-3-amine
CID 115676145
N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine
CID 62871773
N-[[4-(difluoromethyl)phenyl]methyl]thian-3-amine
CID 104773477
N-[[4-(trifluoromethyl)phenyl]methyl]thian-3-amine
CID 62880283
N-[(4-methylsulfanylphenyl)methyl]thian-3-amine
CID 115676008
N-[(3-ethoxy-4-methoxyphenyl)methyl]thian-3-amine
CID 115676100
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]thian-3-amine
CID 107342517
N-[(4-methoxy-3-nitrophenyl)methyl]thian-3-amine
CID 115676048
N-methyl-3-[(thian-3-ylamino)methyl]benzenesulfonamide
CID 86787431
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine (CID 113250129) is N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine is c1cc2c(cc1CNC1CCCSC1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine?
The InChIKey is MVHKLHIFRBBMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-3-13-7-6-12(9-14(13)4-1)10-16-15-5-2-8-17-11-15/h6-7,9,15-16H,1-5,8,10-11H2.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)thian-3-amine has a molecular weight of 247.41 g/mol, XLogP of 3.16, 3 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-ylmethyl)thian-3-amine is sourced from PubChem (CID 113250129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).