N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide

C9H17NO3S — CID 66170496

IUPACN-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CCSC1
InChIInChI=1S/C9H17NO3S/c1-9(13,6-11)5-10-8(12)7-2-3-14-4-7/h7,11,13H,2-6H2,1H3,(H,10,12)
InChIKeyCWVZFEKQOCCAGP-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.40
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide (PubChem CID 66170496) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide
PubChem CID66170496
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CCSC1
InChIInChI=1S/C9H17NO3S/c1-9(13,6-11)5-10-8(12)7-2-3-14-4-7/h7,11,13H,2-6H2,1H3,(H,10,12)
InChIKeyCWVZFEKQOCCAGP-UHFFFAOYSA-N
XLogP-0.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide (CID 66170496) is N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide is CC(O)(CO)CNC(=O)C1CCSC1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide?
The InChIKey is CWVZFEKQOCCAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(13,6-11)5-10-8(12)7-2-3-14-4-7/h7,11,13H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide has a molecular weight of 219.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide is sourced from PubChem (CID 66170496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).