1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid

C14H28N2O4S — CID 43361682

IUPAC1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H28N2O4S/c1-3-11-16(12-4-2)21(19,20)15-14(13(17)18)9-7-5-6-8-10-14/h15H,3-12H2,1-2H3,(H,17,18)
InChIKeyDCGDHMWGTZHBDQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.12
Rot. Bonds8

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

1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 43361682) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid
PubChem CID43361682
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H28N2O4S/c1-3-11-16(12-4-2)21(19,20)15-14(13(17)18)9-7-5-6-8-10-14/h15H,3-12H2,1-2H3,(H,17,18)
InChIKeyDCGDHMWGTZHBDQ-UHFFFAOYSA-N
XLogP2.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid (CID 43361682) is 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid is CCCN(CCC)S(=O)(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is DCGDHMWGTZHBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-3-11-16(12-4-2)21(19,20)15-14(13(17)18)9-7-5-6-8-10-14/h15H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid?
1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylsulfamoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43361682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).