1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine

C12H24N2O2S — CID 115752117

IUPAC1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C12H24N2O2S/c1-13-9-11-5-4-8-14(10-11)17(15,16)12-6-2-3-7-12/h11-13H,2-10H2,1H3
InChIKeyCNMBRUBHPKZULQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds4

About 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine

1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine (PubChem CID 115752117) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
PubChem CID115752117
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C12H24N2O2S/c1-13-9-11-5-4-8-14(10-11)17(15,16)12-6-2-3-7-12/h11-13H,2-10H2,1H3
InChIKeyCNMBRUBHPKZULQ-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 62083891
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63879288
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine
CID 63400590
N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 83045255
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241472
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine (CID 115752117) is 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine is CNCC1CCCN(S(=O)(=O)C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine?
The InChIKey is CNMBRUBHPKZULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-13-9-11-5-4-8-14(10-11)17(15,16)12-6-2-3-7-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine?
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine has a molecular weight of 260.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 115752117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).