N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide

C11H22N2O3S — CID 96502385

IUPACN-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide
SMILESCC(C)(C)[S@@](=O)CCNC(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)17(15)9-4-12-10(14)13-5-7-16-8-6-13/h4-9H2,1-3H3,(H,12,14)/t17-/m0/s1
InChIKeyIMYULPNDAJHJDG-KRWDZBQOSA-N
MW262.37 g/mol
LogP0.58
Rot. Bonds3

About N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide

N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide (PubChem CID 96502385) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide
PubChem CID96502385
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide
SMILESCC(C)(C)[S@@](=O)CCNC(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)17(15)9-4-12-10(14)13-5-7-16-8-6-13/h4-9H2,1-3H3,(H,12,14)/t17-/m0/s1
InChIKeyIMYULPNDAJHJDG-KRWDZBQOSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99824844
N-(2-tert-butylsulfinylethyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111459110
N-propylmorpholine-4-carboxamide
CID 3410822
N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
CID 71918287
N-(2-tert-butylsulfinylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111432818
N-(3,3-dimethyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152144
tert-butyl 4-(morpholine-4-carbonylamino)butanoate
CID 159703563
(3S,4S)-1-(2-tert-butylsulfinylethylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122002596
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
4-acetyl-N-(2-tert-butylsulfinylethyl)-N'-methylpiperazine-1-carboximidamide
CID 119160235

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide (CID 96502385) is N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide is CC(C)(C)[S@@](=O)CCNC(=O)N1CCOCC1.
What is the InChIKey of N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide?
The InChIKey is IMYULPNDAJHJDG-KRWDZBQOSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)17(15)9-4-12-10(14)13-5-7-16-8-6-13/h4-9H2,1-3H3,(H,12,14)/t17-/m0/s1.
What are the key properties of N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide?
N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 96502385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).