N-(3-hydroxypropyl)thiane-2-carboxamide

C9H17NO2S — CID 80595762

IUPACN-(3-hydroxypropyl)thiane-2-carboxamide
SMILESO=C(NCCCO)C1CCCCS1
InChIInChI=1S/C9H17NO2S/c11-6-3-5-10-9(12)8-4-1-2-7-13-8/h8,11H,1-7H2,(H,10,12)
InChIKeyUZFBEBPXODUKBJ-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.77
Rot. Bonds4

About N-(3-hydroxypropyl)thiane-2-carboxamide

N-(3-hydroxypropyl)thiane-2-carboxamide (PubChem CID 80595762) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)thiane-2-carboxamide
PubChem CID80595762
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(3-hydroxypropyl)thiane-2-carboxamide
SMILESO=C(NCCCO)C1CCCCS1
InChIInChI=1S/C9H17NO2S/c11-6-3-5-10-9(12)8-4-1-2-7-13-8/h8,11H,1-7H2,(H,10,12)
InChIKeyUZFBEBPXODUKBJ-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)thiolane-2-carboxamide
CID 103919325
N-butylthiane-2-carboxamide
CID 110848251
N-(4-chlorobutyl)thiane-2-carboxamide
CID 106845450
N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide
CID 80596299
N-(3-sulfamoylpropyl)thiane-2-carboxamide
CID 80596435
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
CID 80595405
3-hydroxy-3-methyl-4-(thiane-2-carbonylamino)butanoic acid
CID 80594769
N-(3-chlorobutyl)thiolane-2-carboxamide
CID 114302010
2-hydroxy-4-(thiolane-2-carbonylamino)butanoic acid
CID 107831935
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)thiane-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)thiane-2-carboxamide (CID 80595762) is N-(3-hydroxypropyl)thiane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)thiane-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)thiane-2-carboxamide is O=C(NCCCO)C1CCCCS1.
What is the InChIKey of N-(3-hydroxypropyl)thiane-2-carboxamide?
The InChIKey is UZFBEBPXODUKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-6-3-5-10-9(12)8-4-1-2-7-13-8/h8,11H,1-7H2,(H,10,12).
What are the key properties of N-(3-hydroxypropyl)thiane-2-carboxamide?
N-(3-hydroxypropyl)thiane-2-carboxamide has a molecular weight of 203.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)thiane-2-carboxamide is sourced from PubChem (CID 80595762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).