N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine

C12H21NOS — CID 107784089

IUPACN-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
SMILESCCNC(CSc1ccoc1C)C(C)C
InChIInChI=1S/C12H21NOS/c1-5-13-11(9(2)3)8-15-12-6-7-14-10(12)4/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyHXTRPSPUWJYWSA-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine

N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine (PubChem CID 107784089) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
PubChem CID107784089
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
SMILESCCNC(CSc1ccoc1C)C(C)C
InChIInChI=1S/C12H21NOS/c1-5-13-11(9(2)3)8-15-12-6-7-14-10(12)4/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyHXTRPSPUWJYWSA-UHFFFAOYSA-N
XLogP3.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784672
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol
CID 107784101
N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107784290
N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
CID 107784337
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
CID 107782619
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine
CID 107784202
3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 107782021

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine (CID 107784089) is N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine is CCNC(CSc1ccoc1C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine?
The InChIKey is HXTRPSPUWJYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-13-11(9(2)3)8-15-12-6-7-14-10(12)4/h6-7,9,11,13H,5,8H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine?
N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 107784089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).