N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine

C15H21N3O3S2 — CID 78823744

IUPACN-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine
SMILESCCCCN(Cc1nnc(-c2cccs2)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O3S2/c1-2-3-7-18(12-6-9-23(19,20)11-12)10-14-16-17-15(21-14)13-5-4-8-22-13/h4-5,8,12H,2-3,6-7,9-11H2,1H3
InChIKeyWCAAIWSXBUCEDJ-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.59
Rot. Bonds7

About N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine

N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine (PubChem CID 78823744) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine
PubChem CID78823744
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine
SMILESCCCCN(Cc1nnc(-c2cccs2)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O3S2/c1-2-3-7-18(12-6-9-23(19,20)11-12)10-14-16-17-15(21-14)13-5-4-8-22-13/h4-5,8,12H,2-3,6-7,9-11H2,1H3
InChIKeyWCAAIWSXBUCEDJ-UHFFFAOYSA-N
XLogP2.59
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine with MolForge

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Related Compounds

N-ethyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 110651991
(3R)-N-benzyl-N-butyl-1,1-dioxothiolan-3-amine
CID 129370820
N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine
CID 66182398
2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 54945171
2-[[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thione
CID 25328725
(3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 95173599
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
CID 7259974
(3S)-N-butyl-1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thiolan-3-amine
CID 95173598
(3S)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 35035304
N-butyl-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 126780658
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4818009
N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9371955

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine?
The IUPAC name of N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine (CID 78823744) is N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine is CCCCN(Cc1nnc(-c2cccs2)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine?
The InChIKey is WCAAIWSXBUCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-2-3-7-18(12-6-9-23(19,20)11-12)10-14-16-17-15(21-14)13-5-4-8-22-13/h4-5,8,12H,2-3,6-7,9-11H2,1H3.
What are the key properties of N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine?
N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine has a molecular weight of 355.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 78823744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).