4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide

C10H20N4O3S — CID 81129268

IUPAC4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C10H20N4O3S/c11-18(16,17)14-6-4-13(5-7-14)10(15)9-2-1-3-12-8-9/h9,12H,1-8H2,(H2,11,16,17)/t9-/m0/s1
InChIKeyURJMMLSUWBBTRQ-VIFPVBQESA-N
MW276.36 g/mol
LogP-1.67
Rot. Bonds2

About 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide

4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide (PubChem CID 81129268) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
PubChem CID81129268
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C10H20N4O3S/c11-18(16,17)14-6-4-13(5-7-14)10(15)9-2-1-3-12-8-9/h9,12H,1-8H2,(H2,11,16,17)/t9-/m0/s1
InChIKeyURJMMLSUWBBTRQ-VIFPVBQESA-N
XLogP-1.67
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidine-3-carbonyl)piperazine-1-sulfonamide
CID 54916601
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119293377
4-(cycloheptanecarbonyl)piperazine-1-sulfonamide
CID 62588341
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-3-ylmethanone
CID 119302951
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 119281331
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide (CID 81129268) is 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)[C@H]2CCCNC2)CC1.
What is the InChIKey of 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide?
The InChIKey is URJMMLSUWBBTRQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N4O3S/c11-18(16,17)14-6-4-13(5-7-14)10(15)9-2-1-3-12-8-9/h9,12H,1-8H2,(H2,11,16,17)/t9-/m0/s1.
What are the key properties of 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide?
4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 81129268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).