3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide

C8H18N2O3S — CID 81202087

IUPAC3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)CC(C)CN
InChIInChI=1S/C8H18N2O3S/c1-7(5-9)6-14(12,13)4-3-8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyGEJREJXRNLSIRJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.87
Rot. Bonds6

About 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide

3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide (PubChem CID 81202087) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide
PubChem CID81202087
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)CC(C)CN
InChIInChI=1S/C8H18N2O3S/c1-7(5-9)6-14(12,13)4-3-8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyGEJREJXRNLSIRJ-UHFFFAOYSA-N
XLogP-0.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminobutylsulfonyl)-N-methylpropanamide
CID 81193833
3-(2-amino-2-methylpropyl)sulfonyl-N-methylpropanamide
CID 81188674
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
3-(chloromethylsulfonyl)-N-methylpropanamide
CID 131227677
2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine
CID 106735833
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119614320
3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide
CID 62325300
3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
CID 103416130
N-(4-aminophenyl)-3-(2-methylbutylsulfonyl)propanamide
CID 107751605
3-(2-methylbutylsulfonyl)propanoic acid
CID 62105864
ethyl 3-(2-methylbutylsulfonyl)propanoate
CID 107746710

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide?
The IUPAC name of 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide (CID 81202087) is 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide is CNC(=O)CCS(=O)(=O)CC(C)CN.
What is the InChIKey of 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide?
The InChIKey is GEJREJXRNLSIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(5-9)6-14(12,13)4-3-8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide?
3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide has a molecular weight of 222.31 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 81202087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).