N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide

C14H27N3O3S — CID 119732751

IUPACN-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C14H27N3O3S/c1-2-10-21(19,20)16-12-5-8-17(9-6-12)14(18)11-13-4-3-7-15-13/h12-13,15-16H,2-11H2,1H3
InChIKeyAGVKGZFYVNRIRD-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.45
Rot. Bonds6

About N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 119732751) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID119732751
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C14H27N3O3S/c1-2-10-21(19,20)16-12-5-8-17(9-6-12)14(18)11-13-4-3-7-15-13/h12-13,15-16H,2-11H2,1H3
InChIKeyAGVKGZFYVNRIRD-UHFFFAOYSA-N
XLogP0.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide 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-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732750
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
4-fluoro-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]benzenesulfonamide
CID 119732715
2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride
CID 119734420
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-propylsulfonyl-2-pyrrolidin-2-ylacetamide
CID 103307605
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 119294516
N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119720622
4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
CID 119701502
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide (CID 119732751) is N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is AGVKGZFYVNRIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-2-10-21(19,20)16-12-5-8-17(9-6-12)14(18)11-13-4-3-7-15-13/h12-13,15-16H,2-11H2,1H3.
What are the key properties of N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 119732751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).