3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 106608418

IUPAC3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H31N3O2S/c1-4-8-17(12-15-6-5-7-16-15)21(19,20)18-10-13(2)9-14(3)11-18/h13-16H,4-12H2,1-3H3
InChIKeyDGMXPHNYSSWRFF-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.67
Rot. Bonds6

About 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide

3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106608418) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID106608418
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H31N3O2S/c1-4-8-17(12-15-6-5-7-16-15)21(19,20)18-10-13(2)9-14(3)11-18/h13-16H,4-12H2,1-3H3
InChIKeyDGMXPHNYSSWRFF-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106610223
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106599585
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608209
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529
N-ethyl-4-methyl-N-(piperidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106630251
N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608896
N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
CID 106631107
N-(dipropylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599557
N-(piperidin-2-ylmethyl)-N-propylcyclohexanesulfonamide
CID 106630664
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929
2-[[cyclopropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106630652

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide (CID 106608418) is 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide is CCCN(CC1CCCN1)S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is DGMXPHNYSSWRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-4-8-17(12-15-6-5-7-16-15)21(19,20)18-10-13(2)9-14(3)11-18/h13-16H,4-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106608418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).