N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide

C12H21NO2S — CID 103280631

IUPACN-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)C1CCCCS1
InChIInChI=1S/C12H21NO2S/c14-10-5-4-9(7-10)8-13-12(15)11-3-1-2-6-16-11/h9-11,14H,1-8H2,(H,13,15)
InChIKeyQLMSJRSUXOJDPA-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.55
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide

N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide (PubChem CID 103280631) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide
PubChem CID103280631
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)C1CCCCS1
InChIInChI=1S/C12H21NO2S/c14-10-5-4-9(7-10)8-13-12(15)11-3-1-2-6-16-11/h9-11,14H,1-8H2,(H,13,15)
InChIKeyQLMSJRSUXOJDPA-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
CID 80595405
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide
CID 66006893
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
N-(3-hydroxypropyl)thiane-2-carboxamide
CID 80595762
1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99858704
N-butylthiane-2-carboxamide
CID 110848251
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
(3R)-N-[(3-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 106134003
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767
N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 103280167

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide (CID 103280631) is N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide is O=C(NCC1CCC(O)C1)C1CCCCS1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide?
The InChIKey is QLMSJRSUXOJDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-10-5-4-9(7-10)8-13-12(15)11-3-1-2-6-16-11/h9-11,14H,1-8H2,(H,13,15).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide has a molecular weight of 243.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide is sourced from PubChem (CID 103280631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).