N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine

C10H17NO2S2 — CID 115623839

IUPACN-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccsc1)CS(C)(=O)=O
InChIInChI=1S/C10H17NO2S2/c1-11-10(8-15(2,12)13)4-3-9-5-6-14-7-9/h5-7,10-11H,3-4,8H2,1-2H3
InChIKeyMNWMAGMYRYZAMG-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.31
Rot. Bonds6

About N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine

N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 115623839) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine
PubChem CID115623839
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC NameN-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccsc1)CS(C)(=O)=O
InChIInChI=1S/C10H17NO2S2/c1-11-10(8-15(2,12)13)4-3-9-5-6-14-7-9/h5-7,10-11H,3-4,8H2,1-2H3
InChIKeyMNWMAGMYRYZAMG-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 115623841
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
2-(methylamino)-3-thiophen-3-ylpropane-1-sulfonic acid
CID 87095543
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
1-(1,1-dioxothiolan-3-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 105147931
1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 116661623
4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61078016
1,4-di(thiophen-3-yl)butan-2-ylhydrazine
CID 105306843
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
2-methyl-4-thiophen-3-ylbutanal
CID 64664525
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine (CID 115623839) is N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine is CNC(CCc1ccsc1)CS(C)(=O)=O.
What is the InChIKey of N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is MNWMAGMYRYZAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-11-10(8-15(2,12)13)4-3-9-5-6-14-7-9/h5-7,10-11H,3-4,8H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine?
N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 115623839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).