(5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

C17H25N3O3S — CID 97129265

IUPAC(5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN1CCC[C@@]2(CCN(S(=O)(=O)N(C)Cc3ccccc3)C2)C1=O
InChIInChI=1S/C17H25N3O3S/c1-18-11-6-9-17(16(18)21)10-12-20(14-17)24(22,23)19(2)13-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3/t17-/m0/s1
InChIKeyVJRZUWNNPXKLHV-KRWDZBQOSA-N
MW351.47 g/mol
LogP1.31
Rot. Bonds4

About (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

(5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (PubChem CID 97129265) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.

Molecular Properties

Compound Name(5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
PubChem CID97129265
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name(5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN1CCC[C@@]2(CCN(S(=O)(=O)N(C)Cc3ccccc3)C2)C1=O
InChIInChI=1S/C17H25N3O3S/c1-18-11-6-9-17(16(18)21)10-12-20(14-17)24(22,23)19(2)13-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3/t17-/m0/s1
InChIKeyVJRZUWNNPXKLHV-KRWDZBQOSA-N
XLogP1.31
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The IUPAC name of (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (CID 97129265) is (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.
What is the SMILES notation for (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The canonical SMILES for (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is CN1CCC[C@@]2(CCN(S(=O)(=O)N(C)Cc3ccccc3)C2)C1=O.
What is the InChIKey of (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The InChIKey is VJRZUWNNPXKLHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-18-11-6-9-17(16(18)21)10-12-20(14-17)24(22,23)19(2)13-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
(5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is sourced from PubChem (CID 97129265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).