2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane

C10H25N3O2S — CID 61456363

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane
SMILESCC(C)CC(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-9(2)8-10(3)12-16(14,15)13(4)7-5-6-11/h9-10,12H,5-8,11H2,1-4H3
InChIKeyUYBMARRANGVYOB-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.54
Rot. Bonds8

About 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane (PubChem CID 61456363) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane
PubChem CID61456363
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane
SMILESCC(C)CC(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-9(2)8-10(3)12-16(14,15)13(4)7-5-6-11/h9-10,12H,5-8,11H2,1-4H3
InChIKeyUYBMARRANGVYOB-UHFFFAOYSA-N
XLogP0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]amino]pentane
CID 61456420
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
CID 62200403
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide
CID 54952297
4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
CID 106066730
2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 54952613
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086
2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298408
methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride
CID 119983413
1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 55142284
N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine
CID 19050558
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane
CID 114142567

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane (CID 61456363) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane is CC(C)CC(C)NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane?
The InChIKey is UYBMARRANGVYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-9(2)8-10(3)12-16(14,15)13(4)7-5-6-11/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane has a molecular weight of 251.40 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane is sourced from PubChem (CID 61456363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).