1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine

C11H25N3O2S — CID 114814968

IUPAC1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(NS(=O)(=O)NCC(C)C)CC1
InChIInChI=1S/C11H25N3O2S/c1-9(2)8-13-17(15,16)14-11-6-4-10(12-3)5-7-11/h9-14H,4-8H2,1-3H3
InChIKeyRNWWQEDOGVQSHS-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.60
Rot. Bonds6

About 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine

1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine (PubChem CID 114814968) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
PubChem CID114814968
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(NS(=O)(=O)NCC(C)C)CC1
InChIInChI=1S/C11H25N3O2S/c1-9(2)8-13-17(15,16)14-11-6-4-10(12-3)5-7-11/h9-14H,4-8H2,1-3H3
InChIKeyRNWWQEDOGVQSHS-UHFFFAOYSA-N
XLogP0.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopropylsulfamoyl)-2-N-methylpropane-1,2-diamine
CID 103512559
3,3-dimethyl-N-(2-methylpropylsulfamoyl)cyclopentan-1-amine
CID 114814941
1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810889
(3R)-N-(2-methylpropylsulfamoyl)piperidin-3-amine
CID 104978718
N-(2-methylpropylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine
CID 114815039
1-(cyclopropylsulfamoylamino)-2,4-dimethylpentan-2-ol
CID 114809675
1-cyclopropyl-2-(cyclopropylsulfamoylamino)ethanol
CID 114383309
(cyclopropylsulfamoylamino)methanol
CID 117126061
N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068
N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2-methylpropan-1-amine
CID 114816751
4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126251
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
CID 97352590

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine (CID 114814968) is 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine is CNC1CCC(NS(=O)(=O)NCC(C)C)CC1.
What is the InChIKey of 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine?
The InChIKey is RNWWQEDOGVQSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-9(2)8-13-17(15,16)14-11-6-4-10(12-3)5-7-11/h9-14H,4-8H2,1-3H3.
What are the key properties of 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine has a molecular weight of 263.41 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114814968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).