3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide

C9H21N3O3S — CID 115319221

IUPAC3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide
SMILESCN(CCCN)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C9H21N3O3S/c1-12(5-2-4-10)6-8-16(14,15)7-3-9(11)13/h2-8,10H2,1H3,(H2,11,13)
InChIKeyRXALEDVDQHBWHD-UHFFFAOYSA-N
MW251.35 g/mol
LogP-1.44
Rot. Bonds9

About 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide

3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide (PubChem CID 115319221) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide
PubChem CID115319221
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide
SMILESCN(CCCN)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C9H21N3O3S/c1-12(5-2-4-10)6-8-16(14,15)7-3-9(11)13/h2-8,10H2,1H3,(H2,11,13)
InChIKeyRXALEDVDQHBWHD-UHFFFAOYSA-N
XLogP-1.44
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]ethylsulfonyl]propanamide
CID 113238914
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(prop-2-enamide)
CID 87098923
3-[3-aminopropyl(methyl)amino]propyl carbamate
CID 155026882
4-[2-[ethyl(methyl)amino]ethyl-methylamino]butanamide
CID 156749996
3-[2-[butyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
CID 60710620
6-amino-1-propylsulfonylhexan-3-one
CID 106736174
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
3-[bis(3-aminopropyl)amino]propanamide
CID 88922422
4-[methyl(2-sulfamoylethyl)amino]butanoic acid
CID 114385348
4-[2-butylsulfonylethyl(methyl)amino]butan-2-one
CID 122644656
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide (CID 115319221) is 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide is CN(CCCN)CCS(=O)(=O)CCC(N)=O.
What is the InChIKey of 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide?
The InChIKey is RXALEDVDQHBWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-12(5-2-4-10)6-8-16(14,15)7-3-9(11)13/h2-8,10H2,1H3,(H2,11,13).
What are the key properties of 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide?
3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide has a molecular weight of 251.35 g/mol, XLogP of -1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-aminopropyl(methyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 115319221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).