(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine

C12H14ClNOS — CID 104945232

IUPAC(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
SMILESN[C@H]1CC2(CCSC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNOS/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10H,3-4,6-7,14H2/t10-,12?/m0/s1
InChIKeyGSAQGNSOBPDUTN-NUHJPDEHSA-N
MW255.77 g/mol
LogP3.00
Rot. Bonds

About (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine

(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine (PubChem CID 104945232) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine.

Molecular Properties

Compound Name(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
PubChem CID104945232
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
SMILESN[C@H]1CC2(CCSC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNOS/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10H,3-4,6-7,14H2/t10-,12?/m0/s1
InChIKeyGSAQGNSOBPDUTN-NUHJPDEHSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104947217
(4R)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-ol
CID 104949137
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114708937
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
6-chloro-2'-ethyl-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709105

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The IUPAC name of (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine (CID 104945232) is (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine.
What is the SMILES notation for (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The canonical SMILES for (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine is N[C@H]1CC2(CCSC2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The InChIKey is GSAQGNSOBPDUTN-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H14ClNOS/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10H,3-4,6-7,14H2/t10-,12?/m0/s1.
What are the key properties of (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine has a molecular weight of 255.77 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine is sourced from PubChem (CID 104945232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).