N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide

C12H28N2O2S — CID 103921027

IUPACN-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide
SMILESCCCC(CC)NCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-5-9-12(6-2)13-10-8-11-14(7-3)17(4,15)16/h12-13H,5-11H2,1-4H3
InChIKeyWODKJKBZZAQUNP-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.83
Rot. Bonds10

About N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide (PubChem CID 103921027) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide
PubChem CID103921027
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide
SMILESCCCC(CC)NCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-5-9-12(6-2)13-10-8-11-14(7-3)17(4,15)16/h12-13H,5-11H2,1-4H3
InChIKeyWODKJKBZZAQUNP-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.83
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

N-[3-(1-cyanobutan-2-ylamino)propyl]-N-ethylmethanesulfonamide
CID 54903442
N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
CID 61013916
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide
CID 115710905
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
CID 62632830
N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide
CID 61013782
N-hexan-3-ylhexan-1-amine
CID 62117591
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
CID 55098017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide (CID 103921027) is N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide is CCCC(CC)NCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide?
The InChIKey is WODKJKBZZAQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-9-12(6-2)13-10-8-11-14(7-3)17(4,15)16/h12-13H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 103921027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).