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

C12H29N3O2S — CID 114138802

IUPAC2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
SMILESCCC(C)(C)NS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C12H29N3O2S/c1-7-12(4,5)14-18(16,17)15(6)10-8-9-13-11(2)3/h11,13-14H,7-10H2,1-6H3
InChIKeySJXKYMFWMPMRNJ-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.33
Rot. Bonds9

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

2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane (PubChem CID 114138802) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane.

Molecular Properties

Compound Name2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
PubChem CID114138802
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC Name2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
SMILESCCC(C)(C)NS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C12H29N3O2S/c1-7-12(4,5)14-18(16,17)15(6)10-8-9-13-11(2)3/h11,13-14H,7-10H2,1-6H3
InChIKeySJXKYMFWMPMRNJ-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.33
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

2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
CID 106066730
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
CID 106063912
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine
CID 103192352
[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
CID 106094131
2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328
1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane
CID 107203013
2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
CID 106094609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane?
The IUPAC name of 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane (CID 114138802) is 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane.
What is the SMILES notation for 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane?
The canonical SMILES for 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane is CCC(C)(C)NS(=O)(=O)N(C)CCCNC(C)C.
What is the InChIKey of 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane?
The InChIKey is SJXKYMFWMPMRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-7-12(4,5)14-18(16,17)15(6)10-8-9-13-11(2)3/h11,13-14H,7-10H2,1-6H3.
What are the key properties of 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane?
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane has a molecular weight of 279.45 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane is sourced from PubChem (CID 114138802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).