N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine

C10H19NO2S — CID 126717836

IUPACN-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine
SMILESCC(C)CSNC1COC2CCOC12
InChIInChI=1S/C10H19NO2S/c1-7(2)6-14-11-8-5-13-9-3-4-12-10(8)9/h7-11H,3-6H2,1-2H3
InChIKeyDQJCTYRBAPPNKM-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.44
Rot. Bonds4

About N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine

N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine (PubChem CID 126717836) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine.

Molecular Properties

Compound NameN-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine
PubChem CID126717836
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine
SMILESCC(C)CSNC1COC2CCOC12
InChIInChI=1S/C10H19NO2S/c1-7(2)6-14-11-8-5-13-9-3-4-12-10(8)9/h7-11H,3-6H2,1-2H3
InChIKeyDQJCTYRBAPPNKM-UHFFFAOYSA-N
XLogP1.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine with MolForge

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Related Compounds

N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-2-methylpropane-1-sulfinamide
CID 145277198
(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
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol
CID 137446456
acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912947
(3aR,6S,6aS)-6-bromo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58101934
O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane
CID 176698149
[(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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine?
The IUPAC name of N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine (CID 126717836) is N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine.
What is the SMILES notation for N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine?
The canonical SMILES for N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine is CC(C)CSNC1COC2CCOC12.
What is the InChIKey of N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine?
The InChIKey is DQJCTYRBAPPNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7(2)6-14-11-8-5-13-9-3-4-12-10(8)9/h7-11H,3-6H2,1-2H3.
What are the key properties of N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine?
N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine has a molecular weight of 217.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-amine is sourced from PubChem (CID 126717836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).