N-(2-aminoethyl)methanesulfonamide;N-propylacetamide

C8H21N3O3S — CID 161235509

IUPACN-(2-aminoethyl)methanesulfonamide;N-propylacetamide
SMILESCCCNC(C)=O.CS(=O)(=O)NCCN
InChIInChI=1S/C5H11NO.C3H10N2O2S/c1-3-4-6-5(2)7;1-8(6,7)5-3-2-4/h3-4H2,1-2H3,(H,6,7);5H,2-4H2,1H3
InChIKeyUZHULXQPIZDSNP-UHFFFAOYSA-N
MW239.34 g/mol
LogP-0.97
Rot. Bonds5

About N-(2-aminoethyl)methanesulfonamide;N-propylacetamide

N-(2-aminoethyl)methanesulfonamide;N-propylacetamide (PubChem CID 161235509) has the molecular formula C8H21N3O3S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-aminoethyl)methanesulfonamide;N-propylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)methanesulfonamide;N-propylacetamide
PubChem CID161235509
Molecular FormulaC8H21N3O3S
Molecular Weight239.34 g/mol
Exact Mass239.13
IUPAC NameN-(2-aminoethyl)methanesulfonamide;N-propylacetamide
SMILESCCCNC(C)=O.CS(=O)(=O)NCCN
InChIInChI=1S/C5H11NO.C3H10N2O2S/c1-3-4-6-5(2)7;1-8(6,7)5-3-2-4/h3-4H2,1-2H3,(H,6,7);5H,2-4H2,1H3
InChIKeyUZHULXQPIZDSNP-UHFFFAOYSA-N
XLogP-0.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)methanesulfonamide
CID 158725113
N-(2-aminoethyl)methanesulfonamide;hydrochloride
CID 22609809
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
N-methylacetamide;N-propylacetamide
CID 160752156
carbamothioic S-acid;O-methyl carbamothioate;N-propylacetamide
CID 88780943
N-(3-aminopropyl)methanesulfonamide
CID 18350602
N-(2-propylsulfonylethyl)acetamide
CID 142065321
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
CID 103795309
N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide
CID 91190770
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)methanesulfonamide;N-propylacetamide?
The IUPAC name of N-(2-aminoethyl)methanesulfonamide;N-propylacetamide (CID 161235509) is N-(2-aminoethyl)methanesulfonamide;N-propylacetamide.
What is the SMILES notation for N-(2-aminoethyl)methanesulfonamide;N-propylacetamide?
The canonical SMILES for N-(2-aminoethyl)methanesulfonamide;N-propylacetamide is CCCNC(C)=O.CS(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)methanesulfonamide;N-propylacetamide?
The InChIKey is UZHULXQPIZDSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H10N2O2S/c1-3-4-6-5(2)7;1-8(6,7)5-3-2-4/h3-4H2,1-2H3,(H,6,7);5H,2-4H2,1H3.
What are the key properties of N-(2-aminoethyl)methanesulfonamide;N-propylacetamide?
N-(2-aminoethyl)methanesulfonamide;N-propylacetamide has a molecular weight of 239.34 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)methanesulfonamide;N-propylacetamide is sourced from PubChem (CID 161235509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).