N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine

C13H22N2OS2 — CID 54981658

IUPACN,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNC1CCS(=O)CC1)c1cccs1
InChIInChI=1S/C13H22N2OS2/c1-15(2)12(13-4-3-7-17-13)10-14-11-5-8-18(16)9-6-11/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyXBPQASWZIVFMRV-UHFFFAOYSA-N
MW286.47 g/mol
LogP1.85
Rot. Bonds5

About N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 54981658) has the molecular formula C13H22N2OS2 and a molecular weight of 286.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID54981658
Molecular FormulaC13H22N2OS2
Molecular Weight286.47 g/mol
Exact Mass286.12
IUPAC NameN,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNC1CCS(=O)CC1)c1cccs1
InChIInChI=1S/C13H22N2OS2/c1-15(2)12(13-4-3-7-17-13)10-14-11-5-8-18(16)9-6-11/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyXBPQASWZIVFMRV-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
CID 54902452
N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43079511
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 65071295
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 103801716
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate
CID 103392910
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N'-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 82686861

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine (CID 54981658) is N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNC1CCS(=O)CC1)c1cccs1.
What is the InChIKey of N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is XBPQASWZIVFMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS2/c1-15(2)12(13-4-3-7-17-13)10-14-11-5-8-18(16)9-6-11/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 286.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 54981658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).