N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine

C12H21NOS — CID 107782619

IUPACN-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
SMILESCCC(CC)NCCSc1ccoc1C
InChIInChI=1S/C12H21NOS/c1-4-11(5-2)13-7-9-15-12-6-8-14-10(12)3/h6,8,11,13H,4-5,7,9H2,1-3H3
InChIKeyIMSKAOYMEZSNCZ-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine

N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine (PubChem CID 107782619) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
PubChem CID107782619
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
SMILESCCC(CC)NCCSc1ccoc1C
InChIInChI=1S/C12H21NOS/c1-4-11(5-2)13-7-9-15-12-6-8-14-10(12)3/h6,8,11,13H,4-5,7,9H2,1-3H3
InChIKeyIMSKAOYMEZSNCZ-UHFFFAOYSA-N
XLogP3.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114001042
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 107782529
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
N-[2-(2-chlorophenyl)sulfanylethyl]pentan-3-amine
CID 62582624
2-chloro-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 114001041
2-bromo-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 107782525
4-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
CID 107782542
2-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784672
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]cyclohexan-1-amine
CID 114001035
N-[2-(3-methylphenyl)sulfanylethyl]pentan-3-amine
CID 62580669
N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782588

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine?
The IUPAC name of N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine (CID 107782619) is N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine?
The canonical SMILES for N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine is CCC(CC)NCCSc1ccoc1C.
What is the InChIKey of N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine?
The InChIKey is IMSKAOYMEZSNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-11(5-2)13-7-9-15-12-6-8-14-10(12)3/h6,8,11,13H,4-5,7,9H2,1-3H3.
What are the key properties of N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine?
N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine has a molecular weight of 227.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine is sourced from PubChem (CID 107782619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).