3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine

C13H28N4O2S — CID 43252348

IUPAC3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine
SMILESCCC(CCN)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H28N4O2S/c1-2-13(5-6-14)15-9-11-17(12-10-15)20(18,19)16-7-3-4-8-16/h13H,2-12,14H2,1H3
InChIKeyRHGXZNYRLRAHGZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.07
Rot. Bonds6

About 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine

3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine (PubChem CID 43252348) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine
PubChem CID43252348
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine
SMILESCCC(CCN)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H28N4O2S/c1-2-13(5-6-14)15-9-11-17(12-10-15)20(18,19)16-7-3-4-8-16/h13H,2-12,14H2,1H3
InChIKeyRHGXZNYRLRAHGZ-UHFFFAOYSA-N
XLogP0.07
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine 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

3-(4-tert-butylsulfonyl-1,4-diazepan-1-yl)pentan-1-amine
CID 63690057
4-(1-aminopentan-3-yl)-N,N-diethyl-1,4-diazepane-1-sulfonamide
CID 43252361
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341093
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]butan-1-one
CID 43252123
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
CID 65277904

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine (CID 43252348) is 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine is CCC(CCN)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine?
The InChIKey is RHGXZNYRLRAHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-2-13(5-6-14)15-9-11-17(12-10-15)20(18,19)16-7-3-4-8-16/h13H,2-12,14H2,1H3.
What are the key properties of 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine?
3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 43252348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).