1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane

C13H29N3O2S — CID 115308845

IUPAC1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane
SMILESCCCCN(C)S(=O)(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C13H29N3O2S/c1-4-5-10-16(3)19(17,18)15-13(11-14)9-7-6-8-12(13)2/h12,15H,4-11,14H2,1-3H3
InChIKeyJUJYZMUKMPSBOP-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.46
Rot. Bonds7

About 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane

1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane (PubChem CID 115308845) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane
PubChem CID115308845
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane
SMILESCCCCN(C)S(=O)(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C13H29N3O2S/c1-4-5-10-16(3)19(17,18)15-13(11-14)9-7-6-8-12(13)2/h12,15H,4-11,14H2,1-3H3
InChIKeyJUJYZMUKMPSBOP-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane?
The IUPAC name of 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane (CID 115308845) is 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane is CCCCN(C)S(=O)(=O)NC1(CN)CCCCC1C.
What is the InChIKey of 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane?
The InChIKey is JUJYZMUKMPSBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-5-10-16(3)19(17,18)15-13(11-14)9-7-6-8-12(13)2/h12,15H,4-11,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane?
1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane has a molecular weight of 291.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[[butyl(methyl)sulfamoyl]amino]-2-methylcyclohexane is sourced from PubChem (CID 115308845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).