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

C14H24N2S2 — CID 95122078

IUPAC(1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
SMILESCc1ccsc1[C@@H](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/t13-/m1/s1
InChIKeyFEFFLCFFKHHOAB-CYBMUJFWSA-N
MW284.49 g/mol
LogP3.14
Rot. Bonds5

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

(1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine (PubChem CID 95122078) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
PubChem CID95122078
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name(1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
SMILESCc1ccsc1[C@@H](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/t13-/m1/s1
InChIKeyFEFFLCFFKHHOAB-CYBMUJFWSA-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

N,N-dimethyl-1-(2-methylphenyl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 50981193
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine
CID 43394909
1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115584811
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
CID 54902452
N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43613882
N-(cyclobutylmethyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62861633
N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43079511
N-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460
N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 54981658
1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
CID 116914575

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine (CID 95122078) is (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine is Cc1ccsc1[C@@H](CNC1CCSCC1)N(C)C.
What is the InChIKey of (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine?
The InChIKey is FEFFLCFFKHHOAB-CYBMUJFWSA-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/t13-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine?
(1R)-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 (1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 95122078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).