N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

C20H33N3O4S2 — CID 56542380

IUPACN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESO=C(C1CCCN1CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1)N1CCSCC1
InChIInChI=1S/C20H33N3O4S2/c24-19(23(16-4-1-2-5-16)17-7-13-29(26,27)15-17)14-22-8-3-6-18(22)20(25)21-9-11-28-12-10-21/h16-18H,1-15H2
InChIKeyCSRYWRZCNTZGSN-UHFFFAOYSA-N
MW443.64 g/mol
LogP0.98
Rot. Bonds5

About N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 56542380) has the molecular formula C20H33N3O4S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID56542380
Molecular FormulaC20H33N3O4S2
Molecular Weight443.64 g/mol
Exact Mass443.19
IUPAC NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESO=C(C1CCCN1CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1)N1CCSCC1
InChIInChI=1S/C20H33N3O4S2/c24-19(23(16-4-1-2-5-16)17-7-13-29(26,27)15-17)14-22-8-3-6-18(22)20(25)21-9-11-28-12-10-21/h16-18H,1-15H2
InChIKeyCSRYWRZCNTZGSN-UHFFFAOYSA-N
XLogP0.98
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (CID 56542380) is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is O=C(C1CCCN1CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1)N1CCSCC1.
What is the InChIKey of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is CSRYWRZCNTZGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S2/c24-19(23(16-4-1-2-5-16)17-7-13-29(26,27)15-17)14-22-8-3-6-18(22)20(25)21-9-11-28-12-10-21/h16-18H,1-15H2.
What are the key properties of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 443.64 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56542380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).