1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one

C10H19N3O3S — CID 30668159

IUPAC1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one
SMILESO=C1CCN(S(=O)(=O)N2CCCCC2)CCN1
InChIInChI=1S/C10H19N3O3S/c14-10-4-8-13(9-5-11-10)17(15,16)12-6-2-1-3-7-12/h1-9H2,(H,11,14)
InChIKeyKTUOCBPRVGCOOV-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.46
Rot. Bonds2

About 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one

1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one (PubChem CID 30668159) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one
PubChem CID30668159
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one
SMILESO=C1CCN(S(=O)(=O)N2CCCCC2)CCN1
InChIInChI=1S/C10H19N3O3S/c14-10-4-8-13(9-5-11-10)17(15,16)12-6-2-1-3-7-12/h1-9H2,(H,11,14)
InChIKeyKTUOCBPRVGCOOV-UHFFFAOYSA-N
XLogP-0.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one?
The IUPAC name of 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one (CID 30668159) is 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one?
The canonical SMILES for 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one is O=C1CCN(S(=O)(=O)N2CCCCC2)CCN1.
What is the InChIKey of 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one?
The InChIKey is KTUOCBPRVGCOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c14-10-4-8-13(9-5-11-10)17(15,16)12-6-2-1-3-7-12/h1-9H2,(H,11,14).
What are the key properties of 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one?
1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one has a molecular weight of 261.35 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonyl-1,4-diazepan-5-one is sourced from PubChem (CID 30668159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).