(1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide

C16H23N3O3S — CID 97401581

IUPAC(1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide
SMILESCN1C(=O)C2(CCN(S(=O)(=O)N(C)C)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H23N3O3S/c1-17(2)23(21,22)19-11-9-16(10-12-19)14(18(3)15(16)20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyRZNNBHSQOIJDCJ-AWEZNQCLSA-N
MW337.44 g/mol
LogP1.09
Rot. Bonds3

About (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide

(1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide (PubChem CID 97401581) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide.

Molecular Properties

Compound Name(1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide
PubChem CID97401581
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide
SMILESCN1C(=O)C2(CCN(S(=O)(=O)N(C)C)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H23N3O3S/c1-17(2)23(21,22)19-11-9-16(10-12-19)14(18(3)15(16)20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyRZNNBHSQOIJDCJ-AWEZNQCLSA-N
XLogP1.09
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97415569
(1R)-7-(furan-2-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415566
(1S)-2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415576
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide
CID 97401440
5-methyl-4-phenyl-5-azaspiro[2.5]octan-8-one
CID 11401645
(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 124527239
2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155841350
N,N-dimethyl-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 45245585
2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155833321
4-(benzenesulfonyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110799693
(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one
CID 101180553

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide?
The IUPAC name of (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide (CID 97401581) is (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide.
What is the SMILES notation for (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide?
The canonical SMILES for (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide is CN1C(=O)C2(CCN(S(=O)(=O)N(C)C)CC2)[C@@H]1c1ccccc1.
What is the InChIKey of (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide?
The InChIKey is RZNNBHSQOIJDCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-17(2)23(21,22)19-11-9-16(10-12-19)14(18(3)15(16)20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide?
(1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide is sourced from PubChem (CID 97401581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).