2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide

C15H29N3O3S — CID 113149104

IUPAC2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CN(CCC1=CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H29N3O3S/c1-17(2)12-10-16-15(19)13-18(22(3,20)21)11-9-14-7-5-4-6-8-14/h7H,4-6,8-13H2,1-3H3,(H,16,19)
InChIKeyWFSDIVJKTBQRPK-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.82
Rot. Bonds9

About 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide

2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 113149104) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID113149104
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CN(CCC1=CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H29N3O3S/c1-17(2)12-10-16-15(19)13-18(22(3,20)21)11-9-14-7-5-4-6-8-14/h7H,4-6,8-13H2,1-3H3,(H,16,19)
InChIKeyWFSDIVJKTBQRPK-UHFFFAOYSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
CID 113149168
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide
CID 113149178
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113152553
N-(5-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149184
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]-4-fluorobenzamide
CID 113065900
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide
CID 113156112
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113065889
N-(3-chloro-4-fluorophenyl)-2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]acetamide
CID 113149187
N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137374
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide (CID 113149104) is 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CN(CCC1=CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is WFSDIVJKTBQRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-17(2)12-10-16-15(19)13-18(22(3,20)21)11-9-14-7-5-4-6-8-14/h7H,4-6,8-13H2,1-3H3,(H,16,19).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide?
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 331.48 g/mol, XLogP of 0.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 113149104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).