N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

C16H29N3OS — CID 119941128

IUPACN-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3OS/c20-16(11-14-12-21-10-7-17-14)18-13-5-8-19(9-6-13)15-3-1-2-4-15/h13-15,17H,1-12H2,(H,18,20)
InChIKeyCWJWKEKQUQCSLB-UHFFFAOYSA-N
MW311.50 g/mol
LogP1.60
Rot. Bonds4

About N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119941128) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119941128
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3OS/c20-16(11-14-12-21-10-7-17-14)18-13-5-8-19(9-6-13)15-3-1-2-4-15/h13-15,17H,1-12H2,(H,18,20)
InChIKeyCWJWKEKQUQCSLB-UHFFFAOYSA-N
XLogP1.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942509
N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66420914
3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine
CID 82918140
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (CID 119941128) is N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is CWJWKEKQUQCSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c20-16(11-14-12-21-10-7-17-14)18-13-5-8-19(9-6-13)15-3-1-2-4-15/h13-15,17H,1-12H2,(H,18,20).
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 311.50 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).