1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine

C15H29N3O2S — CID 120905754

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine
SMILESCC1(CN2CCC(S(=O)(=O)N3CCCC3)CC2)CCNC1
InChIInChI=1S/C15H29N3O2S/c1-15(6-7-16-12-15)13-17-10-4-14(5-11-17)21(19,20)18-8-2-3-9-18/h14,16H,2-13H2,1H3
InChIKeyRJDWNFDPVHHGQS-UHFFFAOYSA-N
MW315.48 g/mol
LogP0.88
Rot. Bonds4

About 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine

1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine (PubChem CID 120905754) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine
PubChem CID120905754
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine
SMILESCC1(CN2CCC(S(=O)(=O)N3CCCC3)CC2)CCNC1
InChIInChI=1S/C15H29N3O2S/c1-15(6-7-16-12-15)13-17-10-4-14(5-11-17)21(19,20)18-8-2-3-9-18/h14,16H,2-13H2,1H3
InChIKeyRJDWNFDPVHHGQS-UHFFFAOYSA-N
XLogP0.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine 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-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
CID 120902113
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
CID 120903287
2-cyclopentyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
CID 120903296
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 120903015
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
1-[(3-methylpiperidin-3-yl)methyl]-4-piperidin-1-ylpiperidine
CID 63133164
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 120903377
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
1-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride
CID 120905381
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine (CID 120905754) is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine is CC1(CN2CCC(S(=O)(=O)N3CCCC3)CC2)CCNC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine?
The InChIKey is RJDWNFDPVHHGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-15(6-7-16-12-15)13-17-10-4-14(5-11-17)21(19,20)18-8-2-3-9-18/h14,16H,2-13H2,1H3.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine?
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine has a molecular weight of 315.48 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine is sourced from PubChem (CID 120905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).