13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide

C15H26N4O4S — CID 118738720

IUPAC13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide
SMILESCC(=O)N1CC2(CCN(S(=O)(=O)N(C)C)CC2)C2(CCNC2=O)C1
InChIInChI=1S/C15H26N4O4S/c1-12(20)18-10-14(15(11-18)4-7-16-13(15)21)5-8-19(9-6-14)24(22,23)17(2)3/h4-11H2,1-3H3,(H,16,21)
InChIKeyMDEFSVXCJBPTRB-UHFFFAOYSA-N
MW358.46 g/mol
LogP-0.76
Rot. Bonds2

About 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide

13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide (PubChem CID 118738720) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide.

Molecular Properties

Compound Name13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide
PubChem CID118738720
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide
SMILESCC(=O)N1CC2(CCN(S(=O)(=O)N(C)C)CC2)C2(CCNC2=O)C1
InChIInChI=1S/C15H26N4O4S/c1-12(20)18-10-14(15(11-18)4-7-16-13(15)21)5-8-19(9-6-14)24(22,23)17(2)3/h4-11H2,1-3H3,(H,16,21)
InChIKeyMDEFSVXCJBPTRB-UHFFFAOYSA-N
XLogP-0.76
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9,13-Diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118738721
9-Acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118742203
3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.5^{6}.3^{5}]tetradecane-13-carboxamide
CID 118742205
13-(Cyclopropylmethyl)-9-methylsulfonyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118742257
13-(Cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118745551
13-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide;2,2,2-trifluoroacetic acid
CID 155840127
9-Cyclopropylsulfonyl-13-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131655812
9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 134074518
9-Acetyl-2,9-diazaspiro[4.5]decan-1-one
CID 134243451
4-(3-Propylpyrrolidine-3-carbonyl)piperazine-1-sulfonamide
CID 63143398
1-(3-Methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63143423
1-(3-Ethylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63143464

Frequently Asked Questions

What is the IUPAC name of 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide?
The IUPAC name of 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide (CID 118738720) is 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide.
What is the SMILES notation for 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide?
The canonical SMILES for 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide is CC(=O)N1CC2(CCN(S(=O)(=O)N(C)C)CC2)C2(CCNC2=O)C1.
What is the InChIKey of 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide?
The InChIKey is MDEFSVXCJBPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-12(20)18-10-14(15(11-18)4-7-16-13(15)21)5-8-19(9-6-14)24(22,23)17(2)3/h4-11H2,1-3H3,(H,16,21).
What are the key properties of 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide?
13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide is sourced from PubChem (CID 118738720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).