N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide

C15H26N2OS3 — CID 99632792

IUPACN-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide
SMILESO=C(NC[C@H]1CSCCS1)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C15H26N2OS3/c18-14(16-10-13-11-19-8-9-20-13)17-6-7-21-15(12-17)4-2-1-3-5-15/h13H,1-12H2,(H,16,18)/t13-/m0/s1
InChIKeyPARKLLBUVHCMBJ-ZDUSSCGKSA-N
MW346.59 g/mol
LogP3.30
Rot. Bonds2

About N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide

N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide (PubChem CID 99632792) has the molecular formula C15H26N2OS3 and a molecular weight of 346.59 g/mol. Its IUPAC name is N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide
PubChem CID99632792
Molecular FormulaC15H26N2OS3
Molecular Weight346.59 g/mol
Exact Mass346.12
IUPAC NameN-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide
SMILESO=C(NC[C@H]1CSCCS1)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C15H26N2OS3/c18-14(16-10-13-11-19-8-9-20-13)17-6-7-21-15(12-17)4-2-1-3-5-15/h13H,1-12H2,(H,16,18)/t13-/m0/s1
InChIKeyPARKLLBUVHCMBJ-ZDUSSCGKSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-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

(3aS,6aR)-2-(1,4-dithian-2-ylmethylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122005830
3-amino-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)butan-1-one;hydrochloride
CID 119807659
(1-aminocyclopropyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 119807614
2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide
CID 71976192
N-(1,4-dithian-2-ylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 115739496
N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-9-oxa-1-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 124620815
1-cyclohexyl-3-[[(2R)-1,4-dithian-2-yl]methyl]urea
CID 95975061
3-propan-2-yl-1-(thiolan-2-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106983968
3-methyl-1-(thian-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 80612003
(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
CID 130686027
4-ethyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 80586532
N-(1,4-dithian-2-ylmethyl)azepane-2-carboxamide
CID 113489395

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide (CID 99632792) is N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide is O=C(NC[C@H]1CSCCS1)N1CCSC2(CCCCC2)C1.
What is the InChIKey of N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The InChIKey is PARKLLBUVHCMBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2OS3/c18-14(16-10-13-11-19-8-9-20-13)17-6-7-21-15(12-17)4-2-1-3-5-15/h13H,1-12H2,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide?
N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide has a molecular weight of 346.59 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dithian-2-yl]methyl]-1-thia-4-azaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 99632792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).