1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine

C11H19NOS — CID 107784170

IUPAC1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1ccoc1C
InChIInChI=1S/C11H19NOS/c1-4-6-12-9(2)8-14-11-5-7-13-10(11)3/h5,7,9,12H,4,6,8H2,1-3H3
InChIKeyIVOGBHSOLXEKBF-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.07
Rot. Bonds6

About 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine

1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine (PubChem CID 107784170) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
PubChem CID107784170
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1ccoc1C
InChIInChI=1S/C11H19NOS/c1-4-6-12-9(2)8-14-11-5-7-13-10(11)3/h5,7,9,12H,4,6,8H2,1-3H3
InChIKeyIVOGBHSOLXEKBF-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

N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107784089
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
CID 107784337
2-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784672
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
CID 107782619
N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine
CID 107780678
2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107784222
3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol
CID 107784101
1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine
CID 64621822
N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107784290
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine (CID 107784170) is 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine is CCCNC(C)CSc1ccoc1C.
What is the InChIKey of 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine?
The InChIKey is IVOGBHSOLXEKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-6-12-9(2)8-14-11-5-7-13-10(11)3/h5,7,9,12H,4,6,8H2,1-3H3.
What are the key properties of 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine?
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-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 1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 107784170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).