N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine

C9H14ClNOS — CID 115757649

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1ccc(Cl)o1
InChIInChI=1S/C9H14ClNOS/c1-7(13-2)5-11-6-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyIKZHYMQUFJLPRJ-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.77
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine

N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115757649) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
PubChem CID115757649
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1ccc(Cl)o1
InChIInChI=1S/C9H14ClNOS/c1-7(13-2)5-11-6-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyIKZHYMQUFJLPRJ-UHFFFAOYSA-N
XLogP2.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 115592466
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757558
(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318255
N-[(2-chloro-4-methylphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 106863169
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757713
N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
CID 63842241
1-(5-chlorofuran-2-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735965
N-[(5-chlorofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 60663070
N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757397
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 102837449

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine (CID 115757649) is N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is IKZHYMQUFJLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-7(13-2)5-11-6-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine?
N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 219.74 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115757649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).