(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C17H25NO2S — CID 97103915

IUPAC(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESC[C@@H](CCN[C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O
InChIInChI=1S/C17H25NO2S/c1-13(21(2)19)8-11-18-15-12-17(9-5-10-17)20-16-7-4-3-6-14(15)16/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3/t13-,15-,21-/m0/s1
InChIKeyRBUMWEATONXZAT-YHQOMNDMSA-N
MW307.46 g/mol
LogP3.18
Rot. Bonds5

About (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 97103915) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID97103915
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESC[C@@H](CCN[C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O
InChIInChI=1S/C17H25NO2S/c1-13(21(2)19)8-11-18-15-12-17(9-5-10-17)20-16-7-4-3-6-14(15)16/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3/t13-,15-,21-/m0/s1
InChIKeyRBUMWEATONXZAT-YHQOMNDMSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine with MolForge

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Related Compounds

1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 97098382
1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one
CID 97230967
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585
(4S)-N-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 97232117
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131
[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
CID 97080014
N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 84589025
N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712137
N-[(1,1-dioxothian-2-yl)methyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 127837049
N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
CID 95706500
N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylmethanesulfonamide
CID 56922318

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 97103915) is (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is C[C@@H](CCN[C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O.
What is the InChIKey of (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is RBUMWEATONXZAT-YHQOMNDMSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13(21(2)19)8-11-18-15-12-17(9-5-10-17)20-16-7-4-3-6-14(15)16/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3/t13-,15-,21-/m0/s1.
What are the key properties of (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 307.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 97103915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).