2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane

C13H31N3O2S — CID 106018827

IUPAC2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
SMILESCCC(NS(=O)(=O)N(C)CCCNC(C)C)C(C)C
InChIInChI=1S/C13H31N3O2S/c1-7-13(11(2)3)15-19(17,18)16(6)10-8-9-14-12(4)5/h11-15H,7-10H2,1-6H3
InChIKeyOVSDSGIZSRVQPP-UHFFFAOYSA-N
MW293.48 g/mol
LogP1.58
Rot. Bonds10

About 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane

2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane (PubChem CID 106018827) has the molecular formula C13H31N3O2S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane.

Molecular Properties

Compound Name2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
PubChem CID106018827
Molecular FormulaC13H31N3O2S
Molecular Weight293.48 g/mol
Exact Mass293.21
IUPAC Name2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
SMILESCCC(NS(=O)(=O)N(C)CCCNC(C)C)C(C)C
InChIInChI=1S/C13H31N3O2S/c1-7-13(11(2)3)15-19(17,18)16(6)10-8-9-14-12(4)5/h11-15H,7-10H2,1-6H3
InChIKeyOVSDSGIZSRVQPP-UHFFFAOYSA-N
XLogP1.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
CID 106066730
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
CID 106063912
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
CID 106094131
3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144
2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene
CID 106003836
2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane?
The IUPAC name of 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane (CID 106018827) is 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane.
What is the SMILES notation for 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane?
The canonical SMILES for 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane is CCC(NS(=O)(=O)N(C)CCCNC(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane?
The InChIKey is OVSDSGIZSRVQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O2S/c1-7-13(11(2)3)15-19(17,18)16(6)10-8-9-14-12(4)5/h11-15H,7-10H2,1-6H3.
What are the key properties of 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane?
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane has a molecular weight of 293.48 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane is sourced from PubChem (CID 106018827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).