[1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine

C9H21N3O2S — CID 114812940

IUPAC[1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine
SMILESCNS(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C9H21N3O2S/c1-11-15(13,14)12-8-9(7-10)5-3-2-4-6-9/h11-12H,2-8,10H2,1H3
InChIKeyYWWXMVQJPBFCGJ-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.05
Rot. Bonds5

About [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine

[1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine (PubChem CID 114812940) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine
PubChem CID114812940
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name[1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine
SMILESCNS(=O)(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C9H21N3O2S/c1-11-15(13,14)12-8-9(7-10)5-3-2-4-6-9/h11-12H,2-8,10H2,1H3
InChIKeyYWWXMVQJPBFCGJ-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Spiroplatin
CID 23725025
Platinum(4+) sulfate (cyclohexane-1,1-diyl)dimethanaminide (1/1/1)
CID 9802804
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812939
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]methanesulfonamide
CID 9881146
[1-(Aminomethyl)cyclohexyl]methanamine;platinum;sulfuric acid
CID 11947754
(1-Methylcyclohexyl)methylsulfamic acid
CID 23197363
CID 24199037
CID 24199037
1-Tert-butyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 132129618
[1-(Aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen
CID 142304620
N-(cyclohexylmethylsulfamoyl)butan-1-amine
CID 144193939
1-(3,3-Dimethylbutyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 162101140
[1-(Aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfuric acid
CID 9889174

Frequently Asked Questions

What is the IUPAC name of [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine (CID 114812940) is [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine is CNS(=O)(=O)NCC1(CN)CCCCC1.
What is the InChIKey of [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine?
The InChIKey is YWWXMVQJPBFCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-11-15(13,14)12-8-9(7-10)5-3-2-4-6-9/h11-12H,2-8,10H2,1H3.
What are the key properties of [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine?
[1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine has a molecular weight of 235.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(methylsulfamoylamino)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 114812940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).