N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

C20H39N3O3S2 — CID 3428060

IUPACN-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCCCCCCS(=O)(=O)N1CCC2(CC1)NC(C(=O)NC(C)CC)CS2
InChIInChI=1S/C20H39N3O3S2/c1-4-6-7-8-9-10-15-28(25,26)23-13-11-20(12-14-23)22-18(16-27-20)19(24)21-17(3)5-2/h17-18,22H,4-16H2,1-3H3,(H,21,24)
InChIKeyYZFFKSLRSJDHBA-UHFFFAOYSA-N
MW433.68 g/mol
LogP3.09
Rot. Bonds11

About N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 3428060) has the molecular formula C20H39N3O3S2 and a molecular weight of 433.68 g/mol. Its IUPAC name is N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID3428060
Molecular FormulaC20H39N3O3S2
Molecular Weight433.68 g/mol
Exact Mass433.24
IUPAC NameN-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCCCCCCS(=O)(=O)N1CCC2(CC1)NC(C(=O)NC(C)CC)CS2
InChIInChI=1S/C20H39N3O3S2/c1-4-6-7-8-9-10-15-28(25,26)23-13-11-20(12-14-23)22-18(16-27-20)19(24)21-17(3)5-2/h17-18,22H,4-16H2,1-3H3,(H,21,24)
InChIKeyYZFFKSLRSJDHBA-UHFFFAOYSA-N
XLogP3.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.68
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-8-(3-methylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 4013988
(3S)-N-[(2S)-butan-2-yl]-8-(4-pentylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 7339020
8-N-(1-adamantyl)-3-N-butan-2-yl-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide
CID 4553663
N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42775612
(3S)-N-[(2R)-butan-2-yl]-8-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 7301953
[3-(hydroxymethyl)-9-octylsulfonyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol
CID 102324781
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 12900627
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 55765140
8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 3910417

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 3428060) is N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CCCCCCCCS(=O)(=O)N1CCC2(CC1)NC(C(=O)NC(C)CC)CS2.
What is the InChIKey of N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is YZFFKSLRSJDHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O3S2/c1-4-6-7-8-9-10-15-28(25,26)23-13-11-20(12-14-23)22-18(16-27-20)19(24)21-17(3)5-2/h17-18,22H,4-16H2,1-3H3,(H,21,24).
What are the key properties of N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 433.68 g/mol, XLogP of 3.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-8-octylsulfonyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 3428060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).