N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine

C9H14ClNOS2 — CID 115763950

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1ccc(Cl)s1)S(C)=O
InChIInChI=1S/C9H14ClNOS2/c1-7(14(2)12)5-11-6-8-3-4-9(10)13-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyRIHKFZCYNVEIQC-UHFFFAOYSA-N
MW251.80 g/mol
LogP2.26
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115763950) has the molecular formula C9H14ClNOS2 and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115763950
Molecular FormulaC9H14ClNOS2
Molecular Weight251.80 g/mol
Exact Mass251.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1ccc(Cl)s1)S(C)=O
InChIInChI=1S/C9H14ClNOS2/c1-7(14(2)12)5-11-6-8-3-4-9(10)13-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyRIHKFZCYNVEIQC-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764056
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677
1-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-diethylpropane-1,2-diamine
CID 115581225
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
1-N-[(5-chlorothiophen-2-yl)methyl]-2-methylheptane-1,6-diamine
CID 65295684
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
2-methylsulfinyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 115763952
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
CID 62576712
2-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]propanoic acid
CID 103254652

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine (CID 115763950) is N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine is CC(CNCc1ccc(Cl)s1)S(C)=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is RIHKFZCYNVEIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS2/c1-7(14(2)12)5-11-6-8-3-4-9(10)13-8/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115763950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).