N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine

C12H24N2O2S — CID 115316156

IUPACN-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-13-9-10-5-4-8-14(10)11-6-3-7-12(11)17(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeySKVAABPOMDTPRV-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds4

About N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine

N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine (PubChem CID 115316156) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine
PubChem CID115316156
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-13-9-10-5-4-8-14(10)11-6-3-7-12(11)17(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeySKVAABPOMDTPRV-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine
CID 65045146
1-[1-(2,6-dimethylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
CID 55167772
N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119991282
1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316266
N-methyl-1-(1-spiro[4.5]decan-8-ylpyrrolidin-2-yl)methanamine
CID 114818954
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 119990947
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine
CID 104973831
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 82751229
N-methyl-1-(1-piperidin-3-ylpyrrolidin-2-yl)methanamine;hydrochloride
CID 131086453
1-(2-methylsulfonylcyclopentyl)piperidine-3-carboxylic acid
CID 65054324
1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
CID 64625242

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine (CID 115316156) is N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine is CNCC1CCCN1C1CCCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine?
The InChIKey is SKVAABPOMDTPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-13-9-10-5-4-8-14(10)11-6-3-7-12(11)17(2,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylsulfonylcyclopentyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115316156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).