1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane

C10H25N3O2S — CID 106058175

IUPAC1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
SMILESCCCCCNS(=O)(=O)N(C)CCCNC
InChIInChI=1S/C10H25N3O2S/c1-4-5-6-9-12-16(14,15)13(3)10-7-8-11-2/h11-12H,4-10H2,1-3H3
InChIKeyJXRKJGUOVFIIFQ-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.55
Rot. Bonds10

About 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane

1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane (PubChem CID 106058175) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane.

Molecular Properties

Compound Name1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
PubChem CID106058175
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
SMILESCCCCCNS(=O)(=O)N(C)CCCNC
InChIInChI=1S/C10H25N3O2S/c1-4-5-6-9-12-16(14,15)13(3)10-7-8-11-2/h11-12H,4-10H2,1-3H3
InChIKeyJXRKJGUOVFIIFQ-UHFFFAOYSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.55
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-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
CID 106094290
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
CID 106327431
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077188
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane?
The IUPAC name of 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane (CID 106058175) is 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane.
What is the SMILES notation for 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane?
The canonical SMILES for 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane is CCCCCNS(=O)(=O)N(C)CCCNC.
What is the InChIKey of 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane?
The InChIKey is JXRKJGUOVFIIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-4-5-6-9-12-16(14,15)13(3)10-7-8-11-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane?
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane has a molecular weight of 251.40 g/mol, XLogP of 0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane is sourced from PubChem (CID 106058175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).