1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide

C11H24N2O4S2 — CID 82842868

IUPAC1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S2/c1-3-8-13(9-11-4-6-12-7-5-11)19(16,17)10-18(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyVWLXSUKCQOWDMY-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.03
Rot. Bonds7

About 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide

1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide (PubChem CID 82842868) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
PubChem CID82842868
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC Name1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S2/c1-3-8-13(9-11-4-6-12-7-5-11)19(16,17)10-18(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyVWLXSUKCQOWDMY-UHFFFAOYSA-N
XLogP0.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82842676
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
4-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 114811132
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 82842964
N-cyclopropyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82843062
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
N-(dipropylsulfamoyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79702592
2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
CID 79701384

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide?
The IUPAC name of 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide (CID 82842868) is 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide?
The canonical SMILES for 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide is CCCN(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide?
The InChIKey is VWLXSUKCQOWDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-3-8-13(9-11-4-6-12-7-5-11)19(16,17)10-18(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide?
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide has a molecular weight of 312.46 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 82842868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).