2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide

C14H31N3O2S — CID 106059732

IUPAC2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)CCNC1CC1
InChIInChI=1S/C14H31N3O2S/c1-4-17(5-2)11-6-7-13(3)16-20(18,19)12-10-15-14-8-9-14/h13-16H,4-12H2,1-3H3
InChIKeyVBTSJMIYWVIPBM-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.17
Rot. Bonds12

About 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide

2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide (PubChem CID 106059732) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
PubChem CID106059732
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)CCNC1CC1
InChIInChI=1S/C14H31N3O2S/c1-4-17(5-2)11-6-7-13(3)16-20(18,19)12-10-15-14-8-9-14/h13-16H,4-12H2,1-3H3
InChIKeyVBTSJMIYWVIPBM-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-[1-(diethylamino)propan-2-yl]ethanesulfonamide
CID 106052209
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
CID 7600988
3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
CID 106066791
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
CID 7618202
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide (CID 106059732) is 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)CCNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide?
The InChIKey is VBTSJMIYWVIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-4-17(5-2)11-6-7-13(3)16-20(18,19)12-10-15-14-8-9-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide?
2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.17, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide is sourced from PubChem (CID 106059732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).