N-(2-aminopentyl)-2-methylsulfonylpropanamide

C9H20N2O3S — CID 115737770

IUPACN-(2-aminopentyl)-2-methylsulfonylpropanamide
SMILESCCCC(N)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-4-5-8(10)6-11-9(12)7(2)15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyMEKWGLZZOHVJFB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.34
Rot. Bonds6

About N-(2-aminopentyl)-2-methylsulfonylpropanamide

N-(2-aminopentyl)-2-methylsulfonylpropanamide (PubChem CID 115737770) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-aminopentyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-2-methylsulfonylpropanamide
PubChem CID115737770
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(2-aminopentyl)-2-methylsulfonylpropanamide
SMILESCCCC(N)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-4-5-8(10)6-11-9(12)7(2)15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyMEKWGLZZOHVJFB-UHFFFAOYSA-N
XLogP-0.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylsulfonylpropanoylamino)methyl]pentanoic acid
CID 104517676
N-(2-aminopentyl)-2-ethylbutanamide
CID 115737781
N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide
CID 104522528
3-methyl-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 115924085
N-(2-bromo-2-cyclopropylethyl)-2-methylsulfonylpropanamide
CID 104522432
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
N-(2-aminopentyl)pentanamide
CID 115737691
N-(2-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 115737773
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
(3S)-5-methyl-3-[(2-methylsulfonylpropanoylamino)methyl]hexanoic acid
CID 104517686
methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-aminopentyl)-2-methylsulfonylpropanamide (CID 115737770) is N-(2-aminopentyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-aminopentyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-aminopentyl)-2-methylsulfonylpropanamide is CCCC(N)CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(2-aminopentyl)-2-methylsulfonylpropanamide?
The InChIKey is MEKWGLZZOHVJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-4-5-8(10)6-11-9(12)7(2)15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of N-(2-aminopentyl)-2-methylsulfonylpropanamide?
N-(2-aminopentyl)-2-methylsulfonylpropanamide has a molecular weight of 236.34 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 115737770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).