N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide

C10H20N2O2S — CID 82917888

IUPACN-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
SMILESCCC(COC)NC(=O)C1CSCCN1
InChIInChI=1S/C10H20N2O2S/c1-3-8(6-14-2)12-10(13)9-7-15-5-4-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyIMPHNBVLRWCCGS-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.23
Rot. Bonds5

About N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide

N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide (PubChem CID 82917888) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
PubChem CID82917888
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
SMILESCCC(COC)NC(=O)C1CSCCN1
InChIInChI=1S/C10H20N2O2S/c1-3-8(6-14-2)12-10(13)9-7-15-5-4-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyIMPHNBVLRWCCGS-UHFFFAOYSA-N
XLogP0.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 106161015
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
CID 82909094
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
CID 113410105
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide (CID 82917888) is N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide is CCC(COC)NC(=O)C1CSCCN1.
What is the InChIKey of N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide?
The InChIKey is IMPHNBVLRWCCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-8(6-14-2)12-10(13)9-7-15-5-4-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide?
N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82917888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).