[(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate

C19H24N2O4S — CID 164775610

IUPAC[(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate
SMILESC[C@H]1Oc2cc(N)ccc2C2=C1C1=CCC[C@H](OS(N)(=O)=O)[C@@]1(C)CC2
InChIInChI=1S/C19H24N2O4S/c1-11-18-14(13-7-6-12(20)10-16(13)24-11)8-9-19(2)15(18)4-3-5-17(19)25-26(21,22)23/h4,6-7,10-11,17H,3,5,8-9,20H2,1-2H3,(H2,21,22,23)/t11-,17+,19+/m1/s1
InChIKeyIUFFIVNCLNURRD-RDBACFOTSA-N
MW376.48 g/mol
LogP2.91
Rot. Bonds2

About [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate

[(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate (PubChem CID 164775610) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate.

Molecular Properties

Compound Name[(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate
PubChem CID164775610
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate
SMILESC[C@H]1Oc2cc(N)ccc2C2=C1C1=CCC[C@H](OS(N)(=O)=O)[C@@]1(C)CC2
InChIInChI=1S/C19H24N2O4S/c1-11-18-14(13-7-6-12(20)10-16(13)24-11)8-9-19(2)15(18)4-3-5-17(19)25-26(21,22)23/h4,6-7,10-11,17H,3,5,8-9,20H2,1-2H3,(H2,21,22,23)/t11-,17+,19+/m1/s1
InChIKeyIUFFIVNCLNURRD-RDBACFOTSA-N
XLogP2.91
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate?
The IUPAC name of [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate (CID 164775610) is [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate.
What is the SMILES notation for [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate?
The canonical SMILES for [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate is C[C@H]1Oc2cc(N)ccc2C2=C1C1=CCC[C@H](OS(N)(=O)=O)[C@@]1(C)CC2.
What is the InChIKey of [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate?
The InChIKey is IUFFIVNCLNURRD-RDBACFOTSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-11-18-14(13-7-6-12(20)10-16(13)24-11)8-9-19(2)15(18)4-3-5-17(19)25-26(21,22)23/h4,6-7,10-11,17H,3,5,8-9,20H2,1-2H3,(H2,21,22,23)/t11-,17+,19+/m1/s1.
What are the key properties of [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate?
[(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate has a molecular weight of 376.48 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R,12aS)-8-amino-5,12a-dimethyl-1,2,3,5,11,12-hexahydronaphtho[1,2-c]chromen-1-yl] sulfamate is sourced from PubChem (CID 164775610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).