1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine

C13H26N2O2S — CID 91910159

IUPAC1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine
SMILESCCCCS(=O)(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-8-5-12(6-9-15)13-4-7-14-11-13/h12-14H,2-11H2,1H3
InChIKeyUFXOJMAVEYCNNV-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.44
Rot. Bonds5

About 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine

1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine (PubChem CID 91910159) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine
PubChem CID91910159
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine
SMILESCCCCS(=O)(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-8-5-12(6-9-15)13-4-7-14-11-13/h12-14H,2-11H2,1H3
InChIKeyUFXOJMAVEYCNNV-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine 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

1-butylsulfonylpiperazine
CID 16769079
1-butylsulfonyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide
CID 119461322
1-butylsulfonyl-N-(2-piperidin-3-ylethyl)piperidine-4-carboxamide
CID 119556402
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
1-butylsulfonylpiperidine-4-carbothioamide
CID 39364305
4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
1-butylsulfonyl-2-methyl-1,4-diazepane
CID 82243284
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 82177219

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine (CID 91910159) is 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine is CCCCS(=O)(=O)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The InChIKey is UFXOJMAVEYCNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-8-5-12(6-9-15)13-4-7-14-11-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine?
1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine has a molecular weight of 274.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 91910159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).