(1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine

C10H17NS2 — CID 124859387

IUPAC(1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine
SMILESN[C@@H]1C[C@H]2C[C@H]1C1(C2)SCCCS1
InChIInChI=1S/C10H17NS2/c11-9-5-7-4-8(9)10(6-7)12-2-1-3-13-10/h7-9H,1-6,11H2/t7-,8-,9-/m1/s1
InChIKeyYSKFCZIPASFMFO-IWSPIJDZSA-N
MW215.39 g/mol
LogP2.31
Rot. Bonds

About (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine

(1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine (PubChem CID 124859387) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine.

Molecular Properties

Compound Name(1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine
PubChem CID124859387
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name(1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine
SMILESN[C@@H]1C[C@H]2C[C@H]1C1(C2)SCCCS1
InChIInChI=1S/C10H17NS2/c11-9-5-7-4-8(9)10(6-7)12-2-1-3-13-10/h7-9H,1-6,11H2/t7-,8-,9-/m1/s1
InChIKeyYSKFCZIPASFMFO-IWSPIJDZSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine with MolForge

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Related Compounds

(7S,11R)-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-thiol
CID 102184392
1-fluoropentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 13046553
(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol
CID 132562581
N-(2-aminocyclopropyl)-2-methylthiolane-2-carboxamide
CID 81451810
7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
CID 21301277
(6R)-tricyclo[2.2.1.02,6]heptan-1-ol
CID 135045430
2-(1-adamantyl)-1,3-dithiane
CID 11322792
2-(2-bicyclo[2.2.1]heptanylmethyl)thiolane-2-carbonitrile
CID 83173273
2,2-dimethyl-1,3-dithiane;2-methylpropane
CID 144926303
1,3-dithiane-2,2-dithiol
CID 57493479
(1S,3S,4S,6S,8S)-tricyclo[4.3.1.03,8]decan-4-amine
CID 7937243
(4R)-4-methyltetracyclo[5.2.1.03,8.05,8]decane
CID 149085298

Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine?
The IUPAC name of (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine (CID 124859387) is (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine.
What is the SMILES notation for (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine?
The canonical SMILES for (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine is N[C@@H]1C[C@H]2C[C@H]1C1(C2)SCCCS1.
What is the InChIKey of (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine?
The InChIKey is YSKFCZIPASFMFO-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H17NS2/c11-9-5-7-4-8(9)10(6-7)12-2-1-3-13-10/h7-9H,1-6,11H2/t7-,8-,9-/m1/s1.
What are the key properties of (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine?
(1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine has a molecular weight of 215.39 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,4'R)-spiro[1,3-dithiane-2,6'-bicyclo[2.2.1]heptane]-2'-amine is sourced from PubChem (CID 124859387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).