N-(3-aminopropyl)-N-ethylmethanesulfonamide

C6H16N2O2S — CID 23010540

IUPACN-(3-aminopropyl)-N-ethylmethanesulfonamide
SMILESCCN(CCCN)S(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-8(6-4-5-7)11(2,9)10/h3-7H2,1-2H3
InChIKeyWUAVCOQSSHQHSJ-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.38
Rot. Bonds5

About N-(3-aminopropyl)-N-ethylmethanesulfonamide

N-(3-aminopropyl)-N-ethylmethanesulfonamide (PubChem CID 23010540) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethylmethanesulfonamide
PubChem CID23010540
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-(3-aminopropyl)-N-ethylmethanesulfonamide
SMILESCCN(CCCN)S(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-8(6-4-5-7)11(2,9)10/h3-7H2,1-2H3
InChIKeyWUAVCOQSSHQHSJ-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Aminopropyl)methanesulfonamide
CID 18350602
N-(3-aminopropyl)-N-methylethane-1-sulfonamide
CID 28387158
N-(3-aminopropyl)-N-methylmethanesulfonamide hydrochloride
CID 122163908
N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
N-[3-(2,2-dimethylpropylamino)propyl]methanesulfonamide
CID 53584383
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
N-[3-(dimethylamino)propyl]propane-1-sulfonamide
CID 60641853
N-(3-aminopropyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 43136918
N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide
CID 43136941
N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 43136966
N-[3-(ethylamino)propyl]-1,1-difluoromethanesulfonamide
CID 43606507
N-ethyl-N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide
CID 61013676

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-ethylmethanesulfonamide (CID 23010540) is N-(3-aminopropyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethylmethanesulfonamide is CCN(CCCN)S(C)(=O)=O.
What is the InChIKey of N-(3-aminopropyl)-N-ethylmethanesulfonamide?
The InChIKey is WUAVCOQSSHQHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-3-8(6-4-5-7)11(2,9)10/h3-7H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-ethylmethanesulfonamide?
N-(3-aminopropyl)-N-ethylmethanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 23010540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).