N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine

C11H19NOS — CID 107784337

IUPACN-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
SMILESCCCC(CSc1ccoc1C)NC
InChIInChI=1S/C11H19NOS/c1-4-5-10(12-3)8-14-11-6-7-13-9(11)2/h6-7,10,12H,4-5,8H2,1-3H3
InChIKeyVOSDDKIBLMUDCP-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.07
Rot. Bonds6

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

N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine (PubChem CID 107784337) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
PubChem CID107784337
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
SMILESCCCC(CSc1ccoc1C)NC
InChIInChI=1S/C11H19NOS/c1-4-5-10(12-3)8-14-11-6-7-13-9(11)2/h6-7,10,12H,4-5,8H2,1-3H3
InChIKeyVOSDDKIBLMUDCP-UHFFFAOYSA-N
XLogP3.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol
CID 107784101
2-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784672
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine
CID 107784202
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107784089
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
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-naphthalen-1-ylethanamine
CID 107784351
1-(3,4-difluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64614516

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine?
The IUPAC name of N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine (CID 107784337) is N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine is CCCC(CSc1ccoc1C)NC.
What is the InChIKey of N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine?
The InChIKey is VOSDDKIBLMUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-5-10(12-3)8-14-11-6-7-13-9(11)2/h6-7,10,12H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine?
N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine is sourced from PubChem (CID 107784337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).