N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide

C10H20N2O3S — CID 106161015

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
SMILESCOCC(CCO)NC(=O)C1CSCCN1
InChIInChI=1S/C10H20N2O3S/c1-15-6-8(2-4-13)12-10(14)9-7-16-5-3-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyMSWWXTUWNDZAGO-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.80
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide (PubChem CID 106161015) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
PubChem CID106161015
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
SMILESCOCC(CCO)NC(=O)C1CSCCN1
InChIInChI=1S/C10H20N2O3S/c1-15-6-8(2-4-13)12-10(14)9-7-16-5-3-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyMSWWXTUWNDZAGO-UHFFFAOYSA-N
XLogP-0.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 82917888
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106155429
N-(4-hydroxy-1-methoxybutan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 106161008
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
2-methylpentyl thiomorpholine-3-carboxylate
CID 103284300
N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
CID 113410105

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide (CID 106161015) is N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide is COCC(CCO)NC(=O)C1CSCCN1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide?
The InChIKey is MSWWXTUWNDZAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-15-6-8(2-4-13)12-10(14)9-7-16-5-3-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 106161015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).