1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane

C11H25N3O2S — CID 28940726

IUPAC1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
SMILESCCC1CCC(CN)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H25N3O2S/c1-4-10-5-7-11(9-12,8-6-10)13-17(15,16)14(2)3/h10,13H,4-9,12H2,1-3H3
InChIKeyDVFCLADTVPYOED-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.68
Rot. Bonds5

About 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane

1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane (PubChem CID 28940726) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
PubChem CID28940726
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
SMILESCCC1CCC(CN)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H25N3O2S/c1-4-10-5-7-11(9-12,8-6-10)13-17(15,16)14(2)3/h10,13H,4-9,12H2,1-3H3
InChIKeyDVFCLADTVPYOED-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane?
The IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane (CID 28940726) is 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane is CCC1CCC(CN)(NS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane?
The InChIKey is DVFCLADTVPYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-4-10-5-7-11(9-12,8-6-10)13-17(15,16)14(2)3/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane?
1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane has a molecular weight of 263.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane is sourced from PubChem (CID 28940726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).