N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide

C13H27N3O3S — CID 113066419

IUPACN-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
SMILESCN(C)CCCN(CCNC(=O)C1CCC1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-15(2)9-5-10-16(20(3,18)19)11-8-14-13(17)12-6-4-7-12/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyAJZCXCFXTPLOMJ-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.12
Rot. Bonds9

About N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide

N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide (PubChem CID 113066419) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
PubChem CID113066419
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
SMILESCN(C)CCCN(CCNC(=O)C1CCC1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-15(2)9-5-10-16(20(3,18)19)11-8-14-13(17)12-6-4-7-12/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyAJZCXCFXTPLOMJ-UHFFFAOYSA-N
XLogP0.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113067675
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
CID 113067409
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113066450
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113067406

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide (CID 113066419) is N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide is CN(C)CCCN(CCNC(=O)C1CCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The InChIKey is AJZCXCFXTPLOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-15(2)9-5-10-16(20(3,18)19)11-8-14-13(17)12-6-4-7-12/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113066419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).