1-(dibutylamino)ethanesulfonamide

C10H24N2O2S — CID 87395686

IUPAC1-(dibutylamino)ethanesulfonamide
SMILESCCCCN(CCCC)C(C)S(N)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-4-6-8-12(9-7-5-2)10(3)15(11,13)14/h10H,4-9H2,1-3H3,(H2,11,13,14)
InChIKeyZMZDDZXNSMAVMQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.52
Rot. Bonds8

About 1-(dibutylamino)ethanesulfonamide

1-(dibutylamino)ethanesulfonamide (PubChem CID 87395686) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(dibutylamino)ethanesulfonamide.

Molecular Properties

Compound Name1-(dibutylamino)ethanesulfonamide
PubChem CID87395686
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name1-(dibutylamino)ethanesulfonamide
SMILESCCCCN(CCCC)C(C)S(N)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-4-6-8-12(9-7-5-2)10(3)15(11,13)14/h10H,4-9H2,1-3H3,(H2,11,13,14)
InChIKeyZMZDDZXNSMAVMQ-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
4-N,4-N-dibutylpentane-2,4-diamine
CID 64708414
hexane;sulfamide
CID 87750585
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
butyl(propan-2-yl)carbamic acid
CID 87287717
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79812309
N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
CID 106722606

Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)ethanesulfonamide?
The IUPAC name of 1-(dibutylamino)ethanesulfonamide (CID 87395686) is 1-(dibutylamino)ethanesulfonamide.
What is the SMILES notation for 1-(dibutylamino)ethanesulfonamide?
The canonical SMILES for 1-(dibutylamino)ethanesulfonamide is CCCCN(CCCC)C(C)S(N)(=O)=O.
What is the InChIKey of 1-(dibutylamino)ethanesulfonamide?
The InChIKey is ZMZDDZXNSMAVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-4-6-8-12(9-7-5-2)10(3)15(11,13)14/h10H,4-9H2,1-3H3,(H2,11,13,14).
What are the key properties of 1-(dibutylamino)ethanesulfonamide?
1-(dibutylamino)ethanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)ethanesulfonamide is sourced from PubChem (CID 87395686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).