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

C10H25N3O2S — CID 61464320

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

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

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane (PubChem CID 61464320) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane
PubChem CID61464320
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane
SMILESCCC(C)C(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-5-9(2)10(3)12-16(14,15)13(4)8-6-7-11/h9-10,12H,5-8,11H2,1-4H3
InChIKeyINYPAFPEHGZGTG-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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Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane (CID 61464320) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane is CCC(C)C(C)NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane?
The InChIKey is INYPAFPEHGZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-5-9(2)10(3)12-16(14,15)13(4)8-6-7-11/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-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]-3-methylpentane is sourced from PubChem (CID 61464320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).