(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

C15H20F2N2O4S2 — CID 97482135

IUPAC(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C15H20F2N2O4S2/c1-24(20,21)19-9-3-7-15(19)6-2-8-18(11-15)25(22,23)12-4-5-13(16)14(17)10-12/h4-5,10H,2-3,6-9,11H2,1H3/t15-/m1/s1
InChIKeyKSJCPIKXJPDBCK-OAHLLOKOSA-N
MW394.47 g/mol
LogP1.54
Rot. Bonds3

About (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (PubChem CID 97482135) has the molecular formula C15H20F2N2O4S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
PubChem CID97482135
Molecular FormulaC15H20F2N2O4S2
Molecular Weight394.47 g/mol
Exact Mass394.08
IUPAC Name(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C15H20F2N2O4S2/c1-24(20,21)19-9-3-7-15(19)6-2-8-18(11-15)25(22,23)12-4-5-13(16)14(17)10-12/h4-5,10H,2-3,6-9,11H2,1H3/t15-/m1/s1
InChIKeyKSJCPIKXJPDBCK-OAHLLOKOSA-N
XLogP1.54
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361
[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
8-(3-fluoro-4-methylphenyl)sulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131640475
(5R)-9-(3-fluoro-4-methylphenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 97481900
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661
1'-(3,4-difluorophenyl)sulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618769
(3R)-1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 124956354
1-(3,4-difluorophenyl)sulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149274
1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 118741464
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 31814418
4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 121187202
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (CID 97482135) is (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2.
What is the InChIKey of (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The InChIKey is KSJCPIKXJPDBCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20F2N2O4S2/c1-24(20,21)19-9-3-7-15(19)6-2-8-18(11-15)25(22,23)12-4-5-13(16)14(17)10-12/h4-5,10H,2-3,6-9,11H2,1H3/t15-/m1/s1.
What are the key properties of (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
(5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane has a molecular weight of 394.47 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(3,4-difluorophenyl)sulfonyl-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97482135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).