1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine

C12H25N3O2S — CID 114803357

IUPAC1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine
SMILESNCC1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H25N3O2S/c13-10-12(8-4-2-1-3-5-9-12)15-18(16,17)14-11-6-7-11/h11,14-15H,1-10,13H2
InChIKeyBOKPMZQTEGJSHT-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.01
Rot. Bonds5

About 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine

1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine (PubChem CID 114803357) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine
PubChem CID114803357
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine
SMILESNCC1(NS(=O)(=O)NC2CC2)CCCCCCC1
InChIInChI=1S/C12H25N3O2S/c13-10-12(8-4-2-1-3-5-9-12)15-18(16,17)14-11-6-7-11/h11,14-15H,1-10,13H2
InChIKeyBOKPMZQTEGJSHT-UHFFFAOYSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
CID 114803352
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
CID 28940616
1-(Aminomethyl)-1-(sulfamoylamino)cyclooctane
CID 28940624
1-(Aminomethyl)-1-(sulfamoylamino)cycloheptane
CID 28940674
1-(Aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
CID 61455945
1-(aminomethyl)-N-(ethylsulfamoyl)cyclooctan-1-amine
CID 113636368
1-cyclohexyl-N-(cyclopropylsulfamoyl)ethane-1,2-diamine
CID 113636420
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine
CID 114803340
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
CID 114803346
1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclooctan-1-amine
CID 114803353
1-(aminomethyl)-N-(propylsulfamoyl)cyclooctan-1-amine
CID 114803354

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine (CID 114803357) is 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine is NCC1(NS(=O)(=O)NC2CC2)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine?
The InChIKey is BOKPMZQTEGJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c13-10-12(8-4-2-1-3-5-9-12)15-18(16,17)14-11-6-7-11/h11,14-15H,1-10,13H2.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine?
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclooctan-1-amine is sourced from PubChem (CID 114803357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).