N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide

C15H29N3O2S — CID 106608896

IUPACN-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CC2CC2)CC2CCCN2)CC1
InChIInChI=1S/C15H29N3O2S/c1-13-6-9-17(10-7-13)21(19,20)18(11-14-4-5-14)12-15-3-2-8-16-15/h13-16H,2-12H2,1H3
InChIKeyWQUALLRTXROMHN-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.43
Rot. Bonds6

About N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide

N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106608896) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID106608896
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CC2CC2)CC2CCCN2)CC1
InChIInChI=1S/C15H29N3O2S/c1-13-6-9-17(10-7-13)21(19,20)18(11-14-4-5-14)12-15-3-2-8-16-15/h13-16H,2-12H2,1H3
InChIKeyWQUALLRTXROMHN-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608209
N-ethyl-4-methyl-N-(piperidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106630251
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608661
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608418
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 106607328
N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106610223
5-bromo-N-(cyclopropylmethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106608681
2-[[cyclopropylmethyl(propylsulfamoyl)amino]methyl]pyrrolidine
CID 106608854
N,4-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716571
N-methyl-N-(piperidin-2-ylmethyl)azepane-1-sulfonamide
CID 106630525
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608787

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide (CID 106608896) is N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(CC2CC2)CC2CCCN2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is WQUALLRTXROMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-13-6-9-17(10-7-13)21(19,20)18(11-14-4-5-14)12-15-3-2-8-16-15/h13-16H,2-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106608896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).