(3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine

C16H28N2O2S2 — CID 95173599

IUPAC(3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCCCc1nc(CN(CCCC)[C@@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C16H28N2O2S2/c1-3-5-7-16-17-14(12-21-16)11-18(9-6-4-2)15-8-10-22(19,20)13-15/h12,15H,3-11,13H2,1-2H3/t15-/m1/s1
InChIKeyPJUKRMXGNCDPCM-OAHLLOKOSA-N
MW344.55 g/mol
LogP3.27
Rot. Bonds9

About (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine

(3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 95173599) has the molecular formula C16H28N2O2S2 and a molecular weight of 344.55 g/mol. Its IUPAC name is (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID95173599
Molecular FormulaC16H28N2O2S2
Molecular Weight344.55 g/mol
Exact Mass344.16
IUPAC Name(3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCCCc1nc(CN(CCCC)[C@@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C16H28N2O2S2/c1-3-5-7-16-17-14(12-21-16)11-18(9-6-4-2)15-8-10-22(19,20)13-15/h12,15H,3-11,13H2,1-2H3/t15-/m1/s1
InChIKeyPJUKRMXGNCDPCM-OAHLLOKOSA-N
XLogP3.27
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine 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

(3R)-N-benzyl-N-butyl-1,1-dioxothiolan-3-amine
CID 129370820
(3S)-N-butyl-1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thiolan-3-amine
CID 95173598
N-butyl-1,1-dioxo-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiolan-3-amine
CID 78823744
(3S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 94394020
4-[[butyl(cyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 61441767
(3S)-N-butyl-N-[(4-nitrophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 129370039
2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 111113168
N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-N-propylcyclopropanamine
CID 54967198
N-butyl-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 126780658
N-butyl-N-(2-methylprop-2-enyl)-1,1-dioxothiolan-3-amine
CID 78823365
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 91838163
4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79116301

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine (CID 95173599) is (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine is CCCCc1nc(CN(CCCC)[C@@H]2CCS(=O)(=O)C2)cs1.
What is the InChIKey of (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is PJUKRMXGNCDPCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28N2O2S2/c1-3-5-7-16-17-14(12-21-16)11-18(9-6-4-2)15-8-10-22(19,20)13-15/h12,15H,3-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine?
(3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 344.55 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 95173599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).