1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid

C12H24N2O4S — CID 43341850

IUPAC1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C12H24N2O4S/c1-3-14(4-2)19(17,18)13-12(11(15)16)9-7-5-6-8-10-12/h13H,3-10H2,1-2H3,(H,15,16)
InChIKeyZBHHCRKVVXJAFM-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.34
Rot. Bonds6

About 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid

1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 43341850) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid
PubChem CID43341850
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C12H24N2O4S/c1-3-14(4-2)19(17,18)13-12(11(15)16)9-7-5-6-8-10-12/h13H,3-10H2,1-2H3,(H,15,16)
InChIKeyZBHHCRKVVXJAFM-UHFFFAOYSA-N
XLogP1.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid (CID 43341850) is 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid is CCN(CC)S(=O)(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is ZBHHCRKVVXJAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-14(4-2)19(17,18)13-12(11(15)16)9-7-5-6-8-10-12/h13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid?
1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).