N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine

C15H26N2O2S2 — CID 63019614

IUPACN-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
SMILESCc1ncc(CC(CNCC(C)C)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)7-16-8-14(6-15-9-17-12(3)20-15)13-4-5-21(18,19)10-13/h9,11,13-14,16H,4-8,10H2,1-3H3
InChIKeyPBRXMUCQOZXSPV-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine

N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine (PubChem CID 63019614) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
PubChem CID63019614
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
SMILESCc1ncc(CC(CNCC(C)C)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)7-16-8-14(6-15-9-17-12(3)20-15)13-4-5-21(18,19)10-13/h9,11,13-14,16H,4-8,10H2,1-3H3
InChIKeyPBRXMUCQOZXSPV-UHFFFAOYSA-N
XLogP2.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine (CID 63019614) is N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine is Cc1ncc(CC(CNCC(C)C)C2CCS(=O)(=O)C2)s1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is PBRXMUCQOZXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(2)7-16-8-14(6-15-9-17-12(3)20-15)13-4-5-21(18,19)10-13/h9,11,13-14,16H,4-8,10H2,1-3H3.
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine?
N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63019614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).