1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane

C10H23N3O2S — CID 22254077

IUPAC1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane
SMILESCN(C)S(=O)(=O)NCC1CCC(CN)CC1
InChIInChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-8-10-5-3-9(7-11)4-6-10/h9-10,12H,3-8,11H2,1-2H3
InChIKeyVLHKHLCUBZJMLM-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.15
Rot. Bonds5

About 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane

1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane (PubChem CID 22254077) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane
PubChem CID22254077
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane
SMILESCN(C)S(=O)(=O)NCC1CCC(CN)CC1
InChIInChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-8-10-5-3-9(7-11)4-6-10/h9-10,12H,3-8,11H2,1-2H3
InChIKeyVLHKHLCUBZJMLM-UHFFFAOYSA-N
XLogP0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane (CID 22254077) is 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane is CN(C)S(=O)(=O)NCC1CCC(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane?
The InChIKey is VLHKHLCUBZJMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-8-10-5-3-9(7-11)4-6-10/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane?
1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane has a molecular weight of 249.38 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[(dimethylsulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 22254077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).