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

C10H17NO2S2 — CID 115764056

IUPACN-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCOc1ccc(CNCC(C)S(C)=O)s1
InChIInChI=1S/C10H17NO2S2/c1-8(15(3)12)6-11-7-9-4-5-10(13-2)14-9/h4-5,8,11H,6-7H2,1-3H3
InChIKeyCHTBLLXRVXAOPR-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.61
Rot. Bonds6

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

N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115764056) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115764056
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC NameN-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCOc1ccc(CNCC(C)S(C)=O)s1
InChIInChI=1S/C10H17NO2S2/c1-8(15(3)12)6-11-7-9-4-5-10(13-2)14-9/h4-5,8,11H,6-7H2,1-3H3
InChIKeyCHTBLLXRVXAOPR-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763950
N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115702493
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764049
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763989
2-methylsulfinyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115763905
2-[(5-methoxythiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115702261
methyl 2-[5-[(3-methylsulfinylbutylamino)methyl]thiophen-2-yl]acetate
CID 115924398
2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
CID 115764164
N-[(5-methoxythiophen-2-yl)methyl]hexan-1-amine
CID 115702222
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
3-[2-[(5-methoxythiophen-2-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 115702440
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 115702501

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine (CID 115764056) is N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine is COc1ccc(CNCC(C)S(C)=O)s1.
What is the InChIKey of N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is CHTBLLXRVXAOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-8(15(3)12)6-11-7-9-4-5-10(13-2)14-9/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine?
N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115764056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).