N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide

C9H19N3O3S2 — CID 66421416

IUPACN-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCS(=O)(=O)NCCNC(=O)CC1CSCCN1
InChIInChI=1S/C9H19N3O3S2/c1-17(14,15)12-3-2-11-9(13)6-8-7-16-5-4-10-8/h8,10,12H,2-7H2,1H3,(H,11,13)
InChIKeyHXRAZNNFUZZCDP-UHFFFAOYSA-N
MW281.40 g/mol
LogP-1.25
Rot. Bonds6

About N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66421416) has the molecular formula C9H19N3O3S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66421416
Molecular FormulaC9H19N3O3S2
Molecular Weight281.40 g/mol
Exact Mass281.09
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCS(=O)(=O)NCCNC(=O)CC1CSCCN1
InChIInChI=1S/C9H19N3O3S2/c1-17(14,15)12-3-2-11-9(13)6-8-7-16-5-4-10-8/h8,10,12H,2-7H2,1H3,(H,11,13)
InChIKeyHXRAZNNFUZZCDP-UHFFFAOYSA-N
XLogP-1.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936053
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 66420455
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939474
N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 114467849
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide (CID 66421416) is N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide is CS(=O)(=O)NCCNC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is HXRAZNNFUZZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S2/c1-17(14,15)12-3-2-11-9(13)6-8-7-16-5-4-10-8/h8,10,12H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 281.40 g/mol, XLogP of -1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).