N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide

C10H15NOS — CID 58911707

IUPACN-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide
SMILESCC(C)(C)C(=S)NCc1ccco1
InChIInChI=1S/C10H15NOS/c1-10(2,3)9(13)11-7-8-5-4-6-12-8/h4-6H,7H2,1-3H3,(H,11,13)
InChIKeyLSQUUMQZDABLEX-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.74
Rot. Bonds2

About N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide

N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide (PubChem CID 58911707) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide
PubChem CID58911707
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide
SMILESCC(C)(C)C(=S)NCc1ccco1
InChIInChI=1S/C10H15NOS/c1-10(2,3)9(13)11-7-8-5-4-6-12-8/h4-6H,7H2,1-3H3,(H,11,13)
InChIKeyLSQUUMQZDABLEX-UHFFFAOYSA-N
XLogP2.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
CID 17100622
1-(3,3-dimethylbutan-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 17277646
amino N-(furan-2-ylmethyl)carbamodithioate
CID 4258189
N-(furan-2-ylmethyl)acetamide
CID 2394850
3-(furan-2-ylmethyl)-1,1-dipropylthiourea
CID 19653033
N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide
CID 54229130
tert-butyl N-[2-(furan-2-ylmethylcarbamothioylamino)ethyl]carbamate
CID 84550174
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78957529
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide (CID 58911707) is N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide is CC(C)(C)C(=S)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide?
The InChIKey is LSQUUMQZDABLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,3)9(13)11-7-8-5-4-6-12-8/h4-6H,7H2,1-3H3,(H,11,13).
What are the key properties of N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide?
N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide has a molecular weight of 197.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide is sourced from PubChem (CID 58911707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).