(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane

C19H28FN3O2S — CID 95717588

IUPAC(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(N1CCCC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H28FN3O2S/c20-18-6-4-17(5-7-18)14-21-10-3-8-19(15-21)9-13-23(16-19)26(24,25)22-11-1-2-12-22/h4-7H,1-3,8-16H2/t19-/m1/s1
InChIKeyNVCYSYDCXDJMAR-LJQANCHMSA-N
MW381.52 g/mol
LogP2.45
Rot. Bonds4

About (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane

(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 95717588) has the molecular formula C19H28FN3O2S and a molecular weight of 381.52 g/mol. Its IUPAC name is (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID95717588
Molecular FormulaC19H28FN3O2S
Molecular Weight381.52 g/mol
Exact Mass381.19
IUPAC Name(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(N1CCCC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H28FN3O2S/c20-18-6-4-17(5-7-18)14-21-10-3-8-19(15-21)9-13-23(16-19)26(24,25)22-11-1-2-12-22/h4-7H,1-3,8-16H2/t19-/m1/s1
InChIKeyNVCYSYDCXDJMAR-LJQANCHMSA-N
XLogP2.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482676
[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol
CID 45189906
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 131660791
[(5R)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 42415530
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97483247
4-[[(5S)-2-(4-fluorophenyl)sulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483085
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane (CID 95717588) is (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane is O=S(=O)(N1CCCC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is NVCYSYDCXDJMAR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28FN3O2S/c20-18-6-4-17(5-7-18)14-21-10-3-8-19(15-21)9-13-23(16-19)26(24,25)22-11-1-2-12-22/h4-7H,1-3,8-16H2/t19-/m1/s1.
What are the key properties of (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane?
(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 381.52 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 95717588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).