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

C10H21N3O2S — CID 114803340

IUPAC1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine
SMILESNCC1(NS(=O)(=O)NC2CC2)CCCCC1
InChIInChI=1S/C10H21N3O2S/c11-8-10(6-2-1-3-7-10)13-16(14,15)12-9-4-5-9/h9,12-13H,1-8,11H2
InChIKeyFNJGCLZNMOMQFB-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.23
Rot. Bonds5

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

1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine (PubChem CID 114803340) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine
PubChem CID114803340
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine
SMILESNCC1(NS(=O)(=O)NC2CC2)CCCCC1
InChIInChI=1S/C10H21N3O2S/c11-8-10(6-2-1-3-7-10)13-16(14,15)12-9-4-5-9/h9,12-13H,1-8,11H2
InChIKeyFNJGCLZNMOMQFB-UHFFFAOYSA-N
XLogP0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637328
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803334
sodium N-[1-(aminomethyl)cyclohexyl]sulfamate
CID 67465541
[1-(Aminomethyl)cyclohexyl]sulfamic acid
CID 67465542
N-(2-methylheptan-2-ylsulfamoyl)cyclohexanamine
CID 68910877
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
1-(Aminomethyl)-1-(sulfamoylamino)cyclohexane
CID 28940492
1-(Aminomethyl)-4-methyl-1-(sulfamoylamino)cyclohexane
CID 28940714
1-Amino-1-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 43598188
1-Amino-1-[(diethylsulfamoylamino)methyl]cyclohexane
CID 43598190

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine (CID 114803340) is 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine is NCC1(NS(=O)(=O)NC2CC2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine?
The InChIKey is FNJGCLZNMOMQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c11-8-10(6-2-1-3-7-10)13-16(14,15)12-9-4-5-9/h9,12-13H,1-8,11H2.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 0.23, 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)cyclohexan-1-amine is sourced from PubChem (CID 114803340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).