1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine

C12H24N2O2S — CID 112746994

IUPAC1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)CCC1CC1
InChIInChI=1S/C12H24N2O2S/c1-13-10-12-4-2-3-8-14(12)17(15,16)9-7-11-5-6-11/h11-13H,2-10H2,1H3
InChIKeyASJVERSRPVPHKA-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds6

About 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine

1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 112746994) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
PubChem CID112746994
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)CCC1CC1
InChIInChI=1S/C12H24N2O2S/c1-13-10-12-4-2-3-8-14(12)17(15,16)9-7-11-5-6-11/h11-13H,2-10H2,1H3
InChIKeyASJVERSRPVPHKA-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119991282
1-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991078
3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 115316475
4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbutanoic acid
CID 113285289
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
N-methyl-2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]ethanamine
CID 83059722
4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
CID 54885840
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 82751229
1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 79936055
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
CID 64988050
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 103541585

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine (CID 112746994) is 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1S(=O)(=O)CCC1CC1.
What is the InChIKey of 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is ASJVERSRPVPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-13-10-12-4-2-3-8-14(12)17(15,16)9-7-11-5-6-11/h11-13H,2-10H2,1H3.
What are the key properties of 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 260.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 112746994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).