N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine

C11H17NO2S2 — CID 71980326

IUPACN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine
SMILESCS(=O)(=O)CC1(CNCc2cccs2)CC1
InChIInChI=1S/C11H17NO2S2/c1-16(13,14)9-11(4-5-11)8-12-7-10-3-2-6-15-10/h2-3,6,12H,4-5,7-9H2,1H3
InChIKeyUHJDYKKEXUBDNF-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.66
Rot. Bonds6

About N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine

N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 71980326) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID71980326
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine
SMILESCS(=O)(=O)CC1(CNCc2cccs2)CC1
InChIInChI=1S/C11H17NO2S2/c1-16(13,14)9-11(4-5-11)8-12-7-10-3-2-6-15-10/h2-3,6,12H,4-5,7-9H2,1H3
InChIKeyUHJDYKKEXUBDNF-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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US10807974, Example 8
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2-[[Cyclopropyl(sulfamoyl)amino]methyl]thiophene
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N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
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CID 164628614

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine (CID 71980326) is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine is CS(=O)(=O)CC1(CNCc2cccs2)CC1.
What is the InChIKey of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is UHJDYKKEXUBDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-16(13,14)9-11(4-5-11)8-12-7-10-3-2-6-15-10/h2-3,6,12H,4-5,7-9H2,1H3.
What are the key properties of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine?
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 259.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 71980326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).