4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C19H24FN3O3S — CID 91909777

IUPAC4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC2(CC1)N(CC1CC1)C(=O)CS2=O
InChIInChI=1S/C19H24FN3O3S/c20-16-5-3-14(4-6-16)11-21-18(25)22-9-7-19(8-10-22)23(12-15-1-2-15)17(24)13-27(19)26/h3-6,15H,1-2,7-13H2,(H,21,25)
InChIKeyANYBPKVEXZSONU-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.83
Rot. Bonds4

About 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 91909777) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID91909777
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC2(CC1)N(CC1CC1)C(=O)CS2=O
InChIInChI=1S/C19H24FN3O3S/c20-16-5-3-14(4-6-16)11-21-18(25)22-9-7-19(8-10-22)23(12-15-1-2-15)17(24)13-27(19)26/h3-6,15H,1-2,7-13H2,(H,21,25)
InChIKeyANYBPKVEXZSONU-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluorophenyl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 24715365
3-Tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea
CID 46137465
N-cyclopropyl-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 71956514
4-(Cyclopropylmethyl)-8-[(2-fluorobenzyl)sulfonyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one 1-oxide
CID 91909783
8-(Cyclopentylcarbonyl)-4-(3-fluorobenzyl)-1lambda-thia-4,8-diazaspiro[4.5]decane-1,3-dione
CID 91909792
4-(Cyclopropylmethyl)-8-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one 1-oxide
CID 91920533
4-(3-fluorobenzyl)-N-isobutyl-1,3-dioxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 91920562
4-[(3-Fluorophenyl)methyl]-1-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 110197138
N-Benzyl-4-(3-fluorobenzyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 1-oxide
CID 124073651
2-(4-Fluorophenyl)-3-(3-(piperidin-1-yl)propyl)thiazolidin-4-one
CID 23798233
N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036
N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 24711904

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 91909777) is 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC2(CC1)N(CC1CC1)C(=O)CS2=O.
What is the InChIKey of 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is ANYBPKVEXZSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c20-16-5-3-14(4-6-16)11-21-18(25)22-9-7-19(8-10-22)23(12-15-1-2-15)17(24)13-27(19)26/h3-6,15H,1-2,7-13H2,(H,21,25).
What are the key properties of 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 91909777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).