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

C10H25N3O2S — CID 62200403

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
SMILESCCCCC(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-4-5-7-10(2)12-16(14,15)13(3)9-6-8-11/h10,12H,4-9,11H2,1-3H3
InChIKeyPWEPWPWMFLKLQZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.68
Rot. Bonds9

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

2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane (PubChem CID 62200403) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
PubChem CID62200403
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
SMILESCCCCC(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-4-5-7-10(2)12-16(14,15)13(3)9-6-8-11/h10,12H,4-9,11H2,1-3H3
InChIKeyPWEPWPWMFLKLQZ-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.68
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]-4-methylpentane
CID 61456363
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide
CID 54952297
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227
2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
2-(dimethylsulfamoylamino)pentane
CID 4635587
2-amino-N-octan-2-ylethanesulfonamide
CID 61477051
2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 54952613
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane (CID 62200403) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane is CCCCC(C)NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane?
The InChIKey is PWEPWPWMFLKLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-4-5-7-10(2)12-16(14,15)13(3)9-6-8-11/h10,12H,4-9,11H2,1-3H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane has a molecular weight of 251.40 g/mol, XLogP of 0.68, 9 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]hexane is sourced from PubChem (CID 62200403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).