N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine

C14H24N2S2 — CID 50953416

IUPACN,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
SMILESCc1ccsc1C(CNC1CCSCC1)N(C)C
InChIInChI=1S/C14H24N2S2/c1-11-4-9-18-14(11)13(16(2)3)10-15-12-5-7-17-8-6-12/h4,9,12-13,15H,5-8,10H2,1-3H3
InChIKeyFEFFLCFFKHHOAB-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.14
Rot. Bonds5

About N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine

N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine (PubChem CID 50953416) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
PubChem CID50953416
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC NameN,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
SMILESCc1ccsc1C(CNC1CCSCC1)N(C)C
InChIInChI=1S/C14H24N2S2/c1-11-4-9-18-14(11)13(16(2)3)10-15-12-5-7-17-8-6-12/h4,9,12-13,15H,5-8,10H2,1-3H3
InChIKeyFEFFLCFFKHHOAB-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
Tifacogin
CID 961320
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
1-(Thien-2-ylmethyl)piperazine
CID 566208
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N5-methyl-4-propyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739368
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N5,4-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739271
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine (CID 50953416) is N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine is Cc1ccsc1C(CNC1CCSCC1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine?
The InChIKey is FEFFLCFFKHHOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-11-4-9-18-14(11)13(16(2)3)10-15-12-5-7-17-8-6-12/h4,9,12-13,15H,5-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 50953416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).