1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine

C13H22N2OS — CID 102671336

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine
SMILESCC1SCCC1NCC(c1ccco1)N(C)C
InChIInChI=1S/C13H22N2OS/c1-10-11(6-8-17-10)14-9-12(15(2)3)13-5-4-7-16-13/h4-5,7,10-12,14H,6,8-9H2,1-3H3
InChIKeyUQIAJUMAFZZLLW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.37
Rot. Bonds5

About 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine (PubChem CID 102671336) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine
PubChem CID102671336
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine
SMILESCC1SCCC1NCC(c1ccco1)N(C)C
InChIInChI=1S/C13H22N2OS/c1-10-11(6-8-17-10)14-9-12(15(2)3)13-5-4-7-16-13/h4-5,7,10-12,14H,6,8-9H2,1-3H3
InChIKeyUQIAJUMAFZZLLW-UHFFFAOYSA-N
XLogP2.37
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
CID 62702659
N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
CID 102671359
N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43223346
N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 106658079
N'-(3,4-dihydro-2H-chromen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202404
N'-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 81251400
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 62655967

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine (CID 102671336) is 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine is CC1SCCC1NCC(c1ccco1)N(C)C.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine?
The InChIKey is UQIAJUMAFZZLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-11(6-8-17-10)14-9-12(15(2)3)13-5-4-7-16-13/h4-5,7,10-12,14H,6,8-9H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 102671336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).