7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide

C12H26N2O3S — CID 79550577

IUPAC7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
SMILESCC(C)(CNC(=O)CCCCCCN)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-12(2,18(3,16)17)10-14-11(15)8-6-4-5-7-9-13/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyMNYUWBASINGNBM-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.83
Rot. Bonds9

About 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide

7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide (PubChem CID 79550577) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
PubChem CID79550577
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
SMILESCC(C)(CNC(=O)CCCCCCN)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-12(2,18(3,16)17)10-14-11(15)8-6-4-5-7-9-13/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyMNYUWBASINGNBM-UHFFFAOYSA-N
XLogP0.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide
CID 63865751
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
CID 107032221
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
CID 24701938
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
7-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]heptanamide
CID 119737403
3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
CID 106276822

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide?
The IUPAC name of 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide (CID 79550577) is 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide?
The canonical SMILES for 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide is CC(C)(CNC(=O)CCCCCCN)S(C)(=O)=O.
What is the InChIKey of 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide?
The InChIKey is MNYUWBASINGNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-12(2,18(3,16)17)10-14-11(15)8-6-4-5-7-9-13/h4-10,13H2,1-3H3,(H,14,15).
What are the key properties of 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide?
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide has a molecular weight of 278.42 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide is sourced from PubChem (CID 79550577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).