N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine

C12H27N3O2S — CID 107402874

IUPACN'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCCN(CC1CCC1)S(=O)(=O)N(C)CCCNC
InChIInChI=1S/C12H27N3O2S/c1-4-15(11-12-7-5-8-12)18(16,17)14(3)10-6-9-13-2/h12-13H,4-11H2,1-3H3
InChIKeyRXNKWNXBZCHSPF-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.89
Rot. Bonds9

About N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine

N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 107402874) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID107402874
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCCN(CC1CCC1)S(=O)(=O)N(C)CCCNC
InChIInChI=1S/C12H27N3O2S/c1-4-15(11-12-7-5-8-12)18(16,17)14(3)10-6-9-13-2/h12-13H,4-11H2,1-3H3
InChIKeyRXNKWNXBZCHSPF-UHFFFAOYSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 107402812
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912
N-(cyclopropylmethyl)-N-ethyl-2-(methylamino)ethanesulfonamide
CID 63955440
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide
CID 62854210
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
CID 102998612
N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667401
9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
CID 106067150
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240

Frequently Asked Questions

What is the IUPAC name of N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine (CID 107402874) is N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine is CCN(CC1CCC1)S(=O)(=O)N(C)CCCNC.
What is the InChIKey of N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is RXNKWNXBZCHSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-15(11-12-7-5-8-12)18(16,17)14(3)10-6-9-13-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine?
N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 277.43 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 107402874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).