3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide

C10H23N3O3S — CID 106336507

IUPAC3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide
SMILESCCNCC(C)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-4-11-8-9(2)10(14)12-6-5-7-13-17(3,15)16/h9,11,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyHEISUUDUSRTMNM-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.71
Rot. Bonds9

About 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide

3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide (PubChem CID 106336507) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide
PubChem CID106336507
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide
SMILESCCNCC(C)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-4-11-8-9(2)10(14)12-6-5-7-13-17(3,15)16/h9,11,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyHEISUUDUSRTMNM-UHFFFAOYSA-N
XLogP-0.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
CID 115325261
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
CID 103795309
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
2-(N'-hydroxycarbamimidoyl)-N-[3-(methanesulfonamido)propyl]-3-methylbutanamide
CID 106341703
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111179938
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
CID 107836168
3-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 62838043

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide (CID 106336507) is 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide is CCNCC(C)C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide?
The InChIKey is HEISUUDUSRTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-4-11-8-9(2)10(14)12-6-5-7-13-17(3,15)16/h9,11,13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide?
3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide has a molecular weight of 265.38 g/mol, XLogP of -0.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[3-(methanesulfonamido)propyl]-2-methylpropanamide is sourced from PubChem (CID 106336507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).