N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide

C9H17NO4S — CID 103919820

IUPACN-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide
SMILESCC[C@H](CO)NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S/c1-2-8(5-11)10-9(12)7-3-4-15(13,14)6-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7?,8-/m1/s1
InChIKeyJMLXTUVJOPMXDH-BRFYHDHCSA-N
MW235.30 g/mol
LogP-0.69
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 103919820) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide
PubChem CID103919820
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide
SMILESCC[C@H](CO)NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S/c1-2-8(5-11)10-9(12)7-3-4-15(13,14)6-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7?,8-/m1/s1
InChIKeyJMLXTUVJOPMXDH-BRFYHDHCSA-N
XLogP-0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanopropyl)-1,1-dioxothiolane-3-carboxamide
CID 62867245
1,1-dioxo-N-(3-oxopentan-2-yl)thiolane-3-carboxamide
CID 64996718
2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920095
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 97096207
1,1-dioxo-N-(3-oxobutan-2-yl)thiolane-3-carboxamide
CID 64997033
N-(4-bromobutan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 83178660
2-[(1,1-dioxothiolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353310
N-(6-methylheptan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 134035787
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 103862378
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide (CID 103919820) is N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide is CC[C@H](CO)NC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is JMLXTUVJOPMXDH-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-8(5-11)10-9(12)7-3-4-15(13,14)6-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7?,8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 235.30 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 103919820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).