3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane

C8H21N3O2S — CID 114803911

IUPAC3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane
SMILESCCC(CC)(CN)N(C)S(=O)(=O)NC
InChIInChI=1S/C8H21N3O2S/c1-5-8(6-2,7-9)11(4)14(12,13)10-3/h10H,5-7,9H2,1-4H3
InChIKeyNFYVFNGFCGWLJD-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.10
Rot. Bonds6

About 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane

3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane (PubChem CID 114803911) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane.

Molecular Properties

Compound Name3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane
PubChem CID114803911
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane
SMILESCCC(CC)(CN)N(C)S(=O)(=O)NC
InChIInChI=1S/C8H21N3O2S/c1-5-8(6-2,7-9)11(4)14(12,13)10-3/h10H,5-7,9H2,1-4H3
InChIKeyNFYVFNGFCGWLJD-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-3-[methyl(propan-2-ylsulfamoyl)amino]pentane
CID 114803908
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide
CID 63687287
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 63245031
N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide
CID 62008652
N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide
CID 62008453
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528
[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane
CID 114803918
N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide
CID 62009652
ethyl N-[3-(aminomethyl)pentan-3-yl-propylsulfamoyl]carbamate
CID 114461365
N-(1-amino-2-methylbutan-2-yl)-N,2-dimethylpropane-2-sulfonamide
CID 63690060
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62062481
1-amino-2-[[ethyl(methyl)sulfamoyl]amino]-2-methylpropane;hydrochloride
CID 119975442

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane?
The IUPAC name of 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane (CID 114803911) is 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane.
What is the SMILES notation for 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane?
The canonical SMILES for 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane is CCC(CC)(CN)N(C)S(=O)(=O)NC.
What is the InChIKey of 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane?
The InChIKey is NFYVFNGFCGWLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-5-8(6-2,7-9)11(4)14(12,13)10-3/h10H,5-7,9H2,1-4H3.
What are the key properties of 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane?
3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane has a molecular weight of 223.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane is sourced from PubChem (CID 114803911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).