5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide

C10H22N2O3S — CID 79550040

IUPAC5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCN)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-10(2,16(3,14)15)8-12-9(13)6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyRXGUTGPZWLSSSO-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.05
Rot. Bonds7

About 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide

5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide (PubChem CID 79550040) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
PubChem CID79550040
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCN)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-10(2,16(3,14)15)8-12-9(13)6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyRXGUTGPZWLSSSO-UHFFFAOYSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide
CID 63865751
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
CID 107032221
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
CID 106276822
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
CID 24701938
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839
5-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pentanamide
CID 106148441

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The IUPAC name of 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide (CID 79550040) is 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide.
What is the SMILES notation for 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The canonical SMILES for 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide is CC(C)(CNC(=O)CCCCN)S(C)(=O)=O.
What is the InChIKey of 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The InChIKey is RXGUTGPZWLSSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(2,16(3,14)15)8-12-9(13)6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide has a molecular weight of 250.36 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide is sourced from PubChem (CID 79550040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).