4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine

C15H21NS2 — CID 83196720

IUPAC4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1CC1Cc2ccccc2S1
InChIInChI=1S/C15H21NS2/c1-2-16-14-10-17-9-12(14)8-13-7-11-5-3-4-6-15(11)18-13/h3-6,12-14,16H,2,7-10H2,1H3
InChIKeyBDNSMTDSFJSBQU-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.43
Rot. Bonds4

About 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine

4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine (PubChem CID 83196720) has the molecular formula C15H21NS2 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine
PubChem CID83196720
Molecular FormulaC15H21NS2
Molecular Weight279.47 g/mol
Exact Mass279.11
IUPAC Name4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1CC1Cc2ccccc2S1
InChIInChI=1S/C15H21NS2/c1-2-16-14-10-17-9-12(14)8-13-7-11-5-3-4-6-15(11)18-13/h3-6,12-14,16H,2,7-10H2,1H3
InChIKeyBDNSMTDSFJSBQU-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 79223818
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227445
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-ethylthiolan-3-amine
CID 83196939
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylcyclohexan-1-amine
CID 79224118
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 79215615
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 83160570
N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine
CID 83196512

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine (CID 83196720) is 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine is CCNC1CSCC1CC1Cc2ccccc2S1.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine?
The InChIKey is BDNSMTDSFJSBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS2/c1-2-16-14-10-17-9-12(14)8-13-7-11-5-3-4-6-15(11)18-13/h3-6,12-14,16H,2,7-10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine?
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine is sourced from PubChem (CID 83196720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).