N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine

C10H20N2O2S — CID 79672711

IUPACN-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine
SMILESC=CCS(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C10H20N2O2S/c1-3-8-15(13,14)12-6-4-10(5-7-12)9-11-2/h3,10-11H,1,4-9H2,2H3
InChIKeyBXCWUAHFZDTIPV-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.43
Rot. Bonds5

About N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine

N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine (PubChem CID 79672711) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine
PubChem CID79672711
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine
SMILESC=CCS(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C10H20N2O2S/c1-3-8-15(13,14)12-6-4-10(5-7-12)9-11-2/h3,10-11H,1,4-9H2,2H3
InChIKeyBXCWUAHFZDTIPV-UHFFFAOYSA-N
XLogP0.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978040
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
2-(1-prop-2-enylsulfonylpiperidin-4-yl)oxyacetic acid
CID 79673584
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
1-[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978430
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63250982
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine
CID 119978340
4-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-sulfonamide
CID 106072866

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine (CID 79672711) is N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine is C=CCS(=O)(=O)N1CCC(CNC)CC1.
What is the InChIKey of N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is BXCWUAHFZDTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-8-15(13,14)12-6-4-10(5-7-12)9-11-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine?
N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 232.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-prop-2-enylsulfonylpiperidin-4-yl)methanamine is sourced from PubChem (CID 79672711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).