2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide

C15H25N3O4S — CID 97370261

IUPAC2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C15H25N3O4S/c1-16(2)13(19)11-17-8-5-15(14(17)20)6-9-18(10-7-15)23(21,22)12-3-4-12/h12H,3-11H2,1-2H3
InChIKeyCGZNCDMATUZNHJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP-0.12
Rot. Bonds4

About 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide

2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide (PubChem CID 97370261) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
PubChem CID97370261
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C15H25N3O4S/c1-16(2)13(19)11-17-8-5-15(14(17)20)6-9-18(10-7-15)23(21,22)12-3-4-12/h12H,3-11H2,1-2H3
InChIKeyCGZNCDMATUZNHJ-UHFFFAOYSA-N
XLogP-0.12
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide (CID 97370261) is 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC2(CCN(S(=O)(=O)C3CC3)CC2)C1=O.
What is the InChIKey of 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide?
The InChIKey is CGZNCDMATUZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-16(2)13(19)11-17-8-5-15(14(17)20)6-9-18(10-7-15)23(21,22)12-3-4-12/h12H,3-11H2,1-2H3.
What are the key properties of 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide?
2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide has a molecular weight of 343.45 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 97370261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).