N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide

C10H19NO3S — CID 145277198

IUPACN-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide
SMILESCC(C)CS(=O)NC1COC2CCOC12
InChIInChI=1S/C10H19NO3S/c1-7(2)6-15(12)11-8-5-14-9-3-4-13-10(8)9/h7-11H,3-6H2,1-2H3
InChIKeyCRTJKNDSVGLOKU-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.45
Rot. Bonds4

About N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide

N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide (PubChem CID 145277198) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide.

Molecular Properties

Compound NameN-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide
PubChem CID145277198
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide
SMILESCC(C)CS(=O)NC1COC2CCOC12
InChIInChI=1S/C10H19NO3S/c1-7(2)6-15(12)11-8-5-14-9-3-4-13-10(8)9/h7-11H,3-6H2,1-2H3
InChIKeyCRTJKNDSVGLOKU-UHFFFAOYSA-N
XLogP0.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine
CID 126717836
(1S)-1-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
CID 156874453
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 15934530
(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 89160443
(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118370032
(3aR,6S,6aR)-6-ethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 167164363
[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 118882980
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 137484809
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-cyclohexylbutanamide
CID 70802265
acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912947
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol
CID 137446456
(3aR,6S,6aS)-6-bromo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58101934

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide?
The IUPAC name of N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide (CID 145277198) is N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide.
What is the SMILES notation for N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide?
The canonical SMILES for N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide is CC(C)CS(=O)NC1COC2CCOC12.
What is the InChIKey of N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide?
The InChIKey is CRTJKNDSVGLOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(2)6-15(12)11-8-5-14-9-3-4-13-10(8)9/h7-11H,3-6H2,1-2H3.
What are the key properties of N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide?
N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide has a molecular weight of 233.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide is sourced from PubChem (CID 145277198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).