1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide

C18H36N6O5S2 — CID 160987515

IUPAC1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide
SMILESCC(=O)N1CC(N2CCC(S(N)(=O)=O)CC2)C1.NS(=O)(=O)C1CCN(C2CNC2)CC1
InChIInChI=1S/C10H19N3O3S.C8H17N3O2S/c1-8(14)13-6-9(7-13)12-4-2-10(3-5-12)17(11,15)16;9-14(12,13)8-1-3-11(4-2-8)7-5-10-6-7/h9-10H,2-7H2,1H3,(H2,11,15,16);7-8,10H,1-6H2,(H2,9,12,13)
InChIKeyTUECMMLZDSAELS-UHFFFAOYSA-N
MW480.66 g/mol
LogP-2.32
Rot. Bonds4

About 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide

1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide (PubChem CID 160987515) has the molecular formula C18H36N6O5S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide
PubChem CID160987515
Molecular FormulaC18H36N6O5S2
Molecular Weight480.66 g/mol
Exact Mass480.22
IUPAC Name1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide
SMILESCC(=O)N1CC(N2CCC(S(N)(=O)=O)CC2)C1.NS(=O)(=O)C1CCN(C2CNC2)CC1
InChIInChI=1S/C10H19N3O3S.C8H17N3O2S/c1-8(14)13-6-9(7-13)12-4-2-10(3-5-12)17(11,15)16;9-14(12,13)8-1-3-11(4-2-8)7-5-10-6-7/h9-10H,2-7H2,1H3,(H2,11,15,16);7-8,10H,1-6H2,(H2,9,12,13)
InChIKeyTUECMMLZDSAELS-UHFFFAOYSA-N
XLogP-2.32
TPSA159.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide?
The IUPAC name of 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide (CID 160987515) is 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide.
What is the SMILES notation for 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide?
The canonical SMILES for 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide is CC(=O)N1CC(N2CCC(S(N)(=O)=O)CC2)C1.NS(=O)(=O)C1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide?
The InChIKey is TUECMMLZDSAELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S.C8H17N3O2S/c1-8(14)13-6-9(7-13)12-4-2-10(3-5-12)17(11,15)16;9-14(12,13)8-1-3-11(4-2-8)7-5-10-6-7/h9-10H,2-7H2,1H3,(H2,11,15,16);7-8,10H,1-6H2,(H2,9,12,13).
What are the key properties of 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide?
1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide has a molecular weight of 480.66 g/mol, XLogP of -2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylazetidin-3-yl)piperidine-4-sulfonamide;1-(azetidin-3-yl)piperidine-4-sulfonamide is sourced from PubChem (CID 160987515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).