N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide

C11H23N3O3S2 — CID 82908390

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CSCCN1)S(C)(=O)=O
InChIInChI=1S/C11H23N3O3S2/c1-3-14(19(2,16)17)7-4-5-13-11(15)10-9-18-8-6-12-10/h10,12H,3-9H2,1-2H3,(H,13,15)
InChIKeyJOPMIIUNZNKYDL-UHFFFAOYSA-N
MW309.46 g/mol
LogP-0.52
Rot. Bonds7

About N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide (PubChem CID 82908390) has the molecular formula C11H23N3O3S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
PubChem CID82908390
Molecular FormulaC11H23N3O3S2
Molecular Weight309.46 g/mol
Exact Mass309.12
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CSCCN1)S(C)(=O)=O
InChIInChI=1S/C11H23N3O3S2/c1-3-14(19(2,16)17)7-4-5-13-11(15)10-9-18-8-6-12-10/h10,12H,3-9H2,1-2H3,(H,13,15)
InChIKeyJOPMIIUNZNKYDL-UHFFFAOYSA-N
XLogP-0.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
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-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpyrrolidine-3-carboxamide
CID 79388221
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide
CID 107435457
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299945
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide (CID 82908390) is N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide is CCN(CCCNC(=O)C1CSCCN1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide?
The InChIKey is JOPMIIUNZNKYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S2/c1-3-14(19(2,16)17)7-4-5-13-11(15)10-9-18-8-6-12-10/h10,12H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide has a molecular weight of 309.46 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).