N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide

C11H24N2O3S — CID 61150790

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
SMILESCCN(CCCNC(=O)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-6-13(17(5,15)16)9-7-8-12-10(14)11(2,3)4/h6-9H2,1-5H3,(H,12,14)
InChIKeyCCRANWIISGJMMN-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.82
Rot. Bonds6

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide (PubChem CID 61150790) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
PubChem CID61150790
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
SMILESCCN(CCCNC(=O)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-6-13(17(5,15)16)9-7-8-12-10(14)11(2,3)4/h6-9H2,1-5H3,(H,12,14)
InChIKeyCCRANWIISGJMMN-UHFFFAOYSA-N
XLogP0.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride
CID 119299946
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
CID 47062460
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
CID 113065214
N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
CID 61013916
1-(cyclopropylmethyl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111869129
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
CID 60552437

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide (CID 61150790) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide is CCN(CCCNC(=O)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide?
The InChIKey is CCRANWIISGJMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-6-13(17(5,15)16)9-7-8-12-10(14)11(2,3)4/h6-9H2,1-5H3,(H,12,14).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide has a molecular weight of 264.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 61150790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).