4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride

C10H21ClN4O3S — CID 119701502

IUPAC4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)N1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C10H20N4O3S.ClH/c11-18(16,17)14-6-4-13(5-7-14)10(15)8-9-2-1-3-12-9;/h9,12H,1-8H2,(H2,11,16,17);1H
InChIKeyGSTKWQPAJYHXRX-UHFFFAOYSA-N
MW312.82 g/mol
LogP-1.10
Rot. Bonds3

About 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride

4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride (PubChem CID 119701502) has the molecular formula C10H21ClN4O3S and a molecular weight of 312.82 g/mol. Its IUPAC name is 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
PubChem CID119701502
Molecular FormulaC10H21ClN4O3S
Molecular Weight312.82 g/mol
Exact Mass312.10
IUPAC Name4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)N1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C10H20N4O3S.ClH/c11-18(16,17)14-6-4-13(5-7-14)10(15)8-9-2-1-3-12-9;/h9,12H,1-8H2,(H2,11,16,17);1H
InChIKeyGSTKWQPAJYHXRX-UHFFFAOYSA-N
XLogP-1.10
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119687257
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119678798
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119783256
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732750
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride?
The IUPAC name of 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride (CID 119701502) is 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride is Cl.NS(=O)(=O)N1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride?
The InChIKey is GSTKWQPAJYHXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S.ClH/c11-18(16,17)14-6-4-13(5-7-14)10(15)8-9-2-1-3-12-9;/h9,12H,1-8H2,(H2,11,16,17);1H.
What are the key properties of 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride?
4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119701502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).