(1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide

C14H27N3O3S — CID 110199342

IUPAC(1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H27N3O3S/c1-16(2)21(19,20)17-11-6-4-3-5-10-15-14(18)12-8-7-9-13(12)17/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13+/m1/s1
InChIKeyKGZZCRLLEWKLSJ-OLZOCXBDSA-N
MW317.46 g/mol
LogP0.95
Rot. Bonds2

About (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide

(1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide (PubChem CID 110199342) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide.

Molecular Properties

Compound Name(1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide
PubChem CID110199342
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name(1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H27N3O3S/c1-16(2)21(19,20)17-11-6-4-3-5-10-15-14(18)12-8-7-9-13(12)17/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13+/m1/s1
InChIKeyKGZZCRLLEWKLSJ-OLZOCXBDSA-N
XLogP0.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide?
The IUPAC name of (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide (CID 110199342) is (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide.
What is the SMILES notation for (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide?
The canonical SMILES for (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide is CN(C)S(=O)(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide?
The InChIKey is KGZZCRLLEWKLSJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-16(2)21(19,20)17-11-6-4-3-5-10-15-14(18)12-8-7-9-13(12)17/h12-13H,3-11H2,1-2H3,(H,15,18)/t12-,13+/m1/s1.
What are the key properties of (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide?
(1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N,N-dimethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-sulfonamide is sourced from PubChem (CID 110199342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).