N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine

C16H23NOS — CID 75512591

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine
SMILESCN(Cc1ccc2c(c1)CCC2)C1CCS(=O)CC1
InChIInChI=1S/C16H23NOS/c1-17(16-7-9-19(18)10-8-16)12-13-5-6-14-3-2-4-15(14)11-13/h5-6,11,16H,2-4,7-10,12H2,1H3
InChIKeyLTUSTRIXNNOXGB-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.52
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine

N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine (PubChem CID 75512591) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine
PubChem CID75512591
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine
SMILESCN(Cc1ccc2c(c1)CCC2)C1CCS(=O)CC1
InChIInChI=1S/C16H23NOS/c1-17(16-7-9-19(18)10-8-16)12-13-5-6-14-3-2-4-15(14)11-13/h5-6,11,16H,2-4,7-10,12H2,1H3
InChIKeyLTUSTRIXNNOXGB-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 115150200
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
CID 102637515
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087
[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
CID 115226970
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
CID 115235761
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
CID 80669807
1-(azetidin-3-yl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylmethanamine
CID 115207637
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190288

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine (CID 75512591) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine is CN(Cc1ccc2c(c1)CCC2)C1CCS(=O)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine?
The InChIKey is LTUSTRIXNNOXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-17(16-7-9-19(18)10-8-16)12-13-5-6-14-3-2-4-15(14)11-13/h5-6,11,16H,2-4,7-10,12H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine has a molecular weight of 277.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 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)-N-methyl-1-oxothian-4-amine is sourced from PubChem (CID 75512591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).