N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide

C13H17NO3S — CID 71920585

IUPACN-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C13H17NO3S/c1-18(15,16)14-11-9-13(7-4-8-13)17-12-6-3-2-5-10(11)12/h2-3,5-6,11,14H,4,7-9H2,1H3
InChIKeyCWYSUAILCQYYAW-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.98
Rot. Bonds2

About N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide

N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide (PubChem CID 71920585) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
PubChem CID71920585
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C13H17NO3S/c1-18(15,16)14-11-9-13(7-4-8-13)17-12-6-3-2-5-10(11)12/h2-3,5-6,11,14H,4,7-9H2,1H3
InChIKeyCWYSUAILCQYYAW-UHFFFAOYSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.98
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-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
CID 95706500
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
N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide
CID 131638561
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 97103915
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
N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712137

Frequently Asked Questions

What is the IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide?
The IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide (CID 71920585) is N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide.
What is the SMILES notation for N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide?
The canonical SMILES for N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide is CS(=O)(=O)NC1CC2(CCC2)Oc2ccccc21.
What is the InChIKey of N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide?
The InChIKey is CWYSUAILCQYYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-18(15,16)14-11-9-13(7-4-8-13)17-12-6-3-2-5-10(11)12/h2-3,5-6,11,14H,4,7-9H2,1H3.
What are the key properties of N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide?
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide is sourced from PubChem (CID 71920585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).