N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide

C10H13NO2S2 — CID 107031671

IUPACN-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cc(S)cs1
InChIInChI=1S/C10H13NO2S2/c12-7-1-6(2-7)4-11-10(13)9-3-8(14)5-15-9/h3,5-7,12,14H,1-2,4H2,(H,11,13)
InChIKeyMSRWAHPIAUHZSB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.54
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107031671) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107031671
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cc(S)cs1
InChIInChI=1S/C10H13NO2S2/c12-7-1-6(2-7)4-11-10(13)9-3-8(14)5-15-9/h3,5-7,12,14H,1-2,4H2,(H,11,13)
InChIKeyMSRWAHPIAUHZSB-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 106137759
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
CID 114136943
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107024051
2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66004828
2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107724816

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 107031671) is N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide is O=C(NCC1CC(O)C1)c1cc(S)cs1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is MSRWAHPIAUHZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c12-7-1-6(2-7)4-11-10(13)9-3-8(14)5-15-9/h3,5-7,12,14H,1-2,4H2,(H,11,13).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107031671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).