N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide

C17H21N3O3S — CID 170191751

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide
SMILESC=C(C)N(C(=O)c1cc(CNS)ccc1C)[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C17H21N3O3S/c1-10(2)20(14-6-7-15(21)19-16(14)22)17(23)13-8-12(9-18-24)5-4-11(13)3/h4-5,8,14,18,24H,1,6-7,9H2,2-3H3,(H,19,21,22)/t14-/m0/s1
InChIKeyCNGSKHABRCSREO-AWEZNQCLSA-N
MW347.44 g/mol
LogP1.71
Rot. Bonds5

About N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide (PubChem CID 170191751) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide
PubChem CID170191751
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide
SMILESC=C(C)N(C(=O)c1cc(CNS)ccc1C)[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C17H21N3O3S/c1-10(2)20(14-6-7-15(21)19-16(14)22)17(23)13-8-12(9-18-24)5-4-11(13)3/h4-5,8,14,18,24H,1,6-7,9H2,2-3H3,(H,19,21,22)/t14-/m0/s1
InChIKeyCNGSKHABRCSREO-AWEZNQCLSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide (CID 170191751) is N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide is C=C(C)N(C(=O)c1cc(CNS)ccc1C)[C@H]1CCC(=O)NC1=O.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide?
The InChIKey is CNGSKHABRCSREO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10(2)20(14-6-7-15(21)19-16(14)22)17(23)13-8-12(9-18-24)5-4-11(13)3/h4-5,8,14,18,24H,1,6-7,9H2,2-3H3,(H,19,21,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide is sourced from PubChem (CID 170191751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).