N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide

C15H21NO3S — CID 95706500

IUPACN-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C15H21NO3S/c1-20(17,18)16-13-11-15(9-5-2-6-10-15)19-14-8-4-3-7-12(13)14/h3-4,7-8,13,16H,2,5-6,9-11H2,1H3/t13-/m0/s1
InChIKeyRSZMRGJWSKQIRZ-ZDUSSCGKSA-N
MW295.40 g/mol
LogP2.76
Rot. Bonds2

About N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide

N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide (PubChem CID 95706500) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
PubChem CID95706500
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C15H21NO3S/c1-20(17,18)16-13-11-15(9-5-2-6-10-15)19-14-8-4-3-7-12(13)14/h3-4,7-8,13,16H,2,5-6,9-11H2,1H3/t13-/m0/s1
InChIKeyRSZMRGJWSKQIRZ-ZDUSSCGKSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylmethanesulfonamide
CID 56922318
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585
4-(methanesulfonamido)-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 131643557
4-fluoro-3-methyl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]benzenesulfonamide
CID 100693521
2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119957742
4-methoxy-2-methyl-5-propan-2-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzenesulfonamide
CID 133162023
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide?
The IUPAC name of N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide (CID 95706500) is N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide?
The canonical SMILES for N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide?
The InChIKey is RSZMRGJWSKQIRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-20(17,18)16-13-11-15(9-5-2-6-10-15)19-14-8-4-3-7-12(13)14/h3-4,7-8,13,16H,2,5-6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide?
N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide is sourced from PubChem (CID 95706500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).