1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane

C14H31N3O2S — CID 34249483

IUPAC1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
SMILESCCN(CC)S(=O)(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C14H31N3O2S/c1-5-17(6-2)20(18,19)15-13-14(16(3)4)11-9-7-8-10-12-14/h15H,5-13H2,1-4H3
InChIKeyNCNHMWZSUUJYDX-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.82
Rot. Bonds7

About 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane

1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane (PubChem CID 34249483) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane.

Molecular Properties

Compound Name1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
PubChem CID34249483
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
SMILESCCN(CC)S(=O)(=O)NCC1(N(C)C)CCCCCC1
InChIInChI=1S/C14H31N3O2S/c1-5-17(6-2)20(18,19)15-13-14(16(3)4)11-9-7-8-10-12-14/h15H,5-13H2,1-4H3
InChIKeyNCNHMWZSUUJYDX-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane?
The IUPAC name of 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane (CID 34249483) is 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane.
What is the SMILES notation for 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane?
The canonical SMILES for 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane is CCN(CC)S(=O)(=O)NCC1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane?
The InChIKey is NCNHMWZSUUJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-5-17(6-2)20(18,19)15-13-14(16(3)4)11-9-7-8-10-12-14/h15H,5-13H2,1-4H3.
What are the key properties of 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane?
1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane has a molecular weight of 305.49 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane is sourced from PubChem (CID 34249483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).