(1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine

C18H28N2S2 — CID 11371118

IUPAC(1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine
SMILESCCN(CC)[C@H](c1cccs1)[C@H](c1cccs1)N(CC)CC
InChIInChI=1S/C18H28N2S2/c1-5-19(6-2)17(15-11-9-13-21-15)18(20(7-3)8-4)16-12-10-14-22-16/h9-14,17-18H,5-8H2,1-4H3/t17-,18+
InChIKeyIRPULSXPUYHSJI-HDICACEKSA-N
MW336.57 g/mol
LogP5.28
Rot. Bonds9

About (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine

(1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine (PubChem CID 11371118) has the molecular formula C18H28N2S2 and a molecular weight of 336.57 g/mol. Its IUPAC name is (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine
PubChem CID11371118
Molecular FormulaC18H28N2S2
Molecular Weight336.57 g/mol
Exact Mass336.17
IUPAC Name(1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine
SMILESCCN(CC)[C@H](c1cccs1)[C@H](c1cccs1)N(CC)CC
InChIInChI=1S/C18H28N2S2/c1-5-19(6-2)17(15-11-9-13-21-15)18(20(7-3)8-4)16-12-10-14-22-16/h9-14,17-18H,5-8H2,1-4H3/t17-,18+
InChIKeyIRPULSXPUYHSJI-HDICACEKSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.57
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diethylthiambutene
CID 6833
Ethylmethylthiambutene
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1-(1-Methyl-3,3-di-2-thienyl-2-propen-1-yl)piperidine
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(2S)-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
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(2R)-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
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2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
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[ethyl(thiophen-2-ylmethyl)carbamothioyl]sulfanyl N-ethyl-N-(thiophen-2-ylmethyl)carbamodithioate
CID 168679325
3-Buten-2-amine, N,N-diethyl-4,4-di-2-thienyl-, hydrochloride (1:1)
CID 8585
2-Thiophenepropanamine, N,N-diethyl-alpha-methyl-gamma-2-thienyl-, hydrochloride
CID 113823
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
N-[bis(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
CID 52601167
1-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine
CID 28959326

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine?
The IUPAC name of (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine (CID 11371118) is (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine?
The canonical SMILES for (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine is CCN(CC)[C@H](c1cccs1)[C@H](c1cccs1)N(CC)CC.
What is the InChIKey of (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine?
The InChIKey is IRPULSXPUYHSJI-HDICACEKSA-N. The full InChI is InChI=1S/C18H28N2S2/c1-5-19(6-2)17(15-11-9-13-21-15)18(20(7-3)8-4)16-12-10-14-22-16/h9-14,17-18H,5-8H2,1-4H3/t17-,18+.
What are the key properties of (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine?
(1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine has a molecular weight of 336.57 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N,N,N',N'-tetraethyl-1,2-dithiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 11371118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).