1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine

C13H18N2S — CID 104526761

IUPAC1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine
SMILESCN1CCc2ccc(NC3CCSC3)cc21
InChIInChI=1S/C13H18N2S/c1-15-6-4-10-2-3-11(8-13(10)15)14-12-5-7-16-9-12/h2-3,8,12,14H,4-7,9H2,1H3
InChIKeyKGYRHXQCJPKTAN-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.60
Rot. Bonds2

About 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine

1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine (PubChem CID 104526761) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine
PubChem CID104526761
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine
SMILESCN1CCc2ccc(NC3CCSC3)cc21
InChIInChI=1S/C13H18N2S/c1-15-6-4-10-2-3-11(8-13(10)15)14-12-5-7-16-9-12/h2-3,8,12,14H,4-7,9H2,1H3
InChIKeyKGYRHXQCJPKTAN-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)thian-3-amine
CID 62871773
N-(3-bromo-4-methylphenyl)thiolan-3-amine
CID 63333574
N-(3-iodo-4-methylphenyl)thiolan-3-amine
CID 43716162
2-chloro-5-(thiolan-3-ylamino)benzoic acid
CID 43736227
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 43204585
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43132893
1,6-dimethyl-2,3-dihydroindole
CID 59833304
2-methyl-N-(thiolan-3-yl)-1,3-benzoxazol-5-amine
CID 43205250
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine?
The IUPAC name of 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine (CID 104526761) is 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine is CN1CCc2ccc(NC3CCSC3)cc21.
What is the InChIKey of 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine?
The InChIKey is KGYRHXQCJPKTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-15-6-4-10-2-3-11(8-13(10)15)14-12-5-7-16-9-12/h2-3,8,12,14H,4-7,9H2,1H3.
What are the key properties of 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine?
1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine has a molecular weight of 234.37 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiolan-3-yl)-2,3-dihydroindol-6-amine is sourced from PubChem (CID 104526761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).