1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride

C14H29ClN4O5S2 — CID 161366691

IUPAC1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CCN(C(=O)C2CC2)CC1.NS(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H16N2O3S.C5H12N2O2S.ClH/c10-15(13,14)8-3-5-11(6-4-8)9(12)7-1-2-7;6-10(8,9)5-1-3-7-4-2-5;/h7-8H,1-6H2,(H2,10,13,14);5,7H,1-4H2,(H2,6,8,9);1H
InChIKeyDFTXJTMHCHEBDG-UHFFFAOYSA-N
MW433.00 g/mol
LogP-0.88
Rot. Bonds3

About 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride

1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride (PubChem CID 161366691) has the molecular formula C14H29ClN4O5S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride
PubChem CID161366691
Molecular FormulaC14H29ClN4O5S2
Molecular Weight433.00 g/mol
Exact Mass432.13
IUPAC Name1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CCN(C(=O)C2CC2)CC1.NS(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H16N2O3S.C5H12N2O2S.ClH/c10-15(13,14)8-3-5-11(6-4-8)9(12)7-1-2-7;6-10(8,9)5-1-3-7-4-2-5;/h7-8H,1-6H2,(H2,10,13,14);5,7H,1-4H2,(H2,6,8,9);1H
InChIKeyDFTXJTMHCHEBDG-UHFFFAOYSA-N
XLogP-0.88
TPSA152.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide;hydrochloride
CID 126721416
1-(2,4,5,6-tetrahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide
CID 172635890
4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 160696762
1-(2,5-dihydro-1H-pyrrole-2-carbonyl)piperidine-4-sulfonamide;hydrochloride
CID 154922263
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119307759
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 43711892
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
1-(cyclopentanecarbonyl)azetidine-3-sulfonamide
CID 127799605

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride?
The IUPAC name of 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride (CID 161366691) is 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride is Cl.NS(=O)(=O)C1CCN(C(=O)C2CC2)CC1.NS(=O)(=O)C1CCNCC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride?
The InChIKey is DFTXJTMHCHEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S.C5H12N2O2S.ClH/c10-15(13,14)8-3-5-11(6-4-8)9(12)7-1-2-7;6-10(8,9)5-1-3-7-4-2-5;/h7-8H,1-6H2,(H2,10,13,14);5,7H,1-4H2,(H2,6,8,9);1H.
What are the key properties of 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride?
1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride has a molecular weight of 433.00 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 161366691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).