N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H29ClN2O2S — CID 119939929

IUPACN-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)N(CC1CCCO1)C1CCCC1
InChIInChI=1S/C16H28N2O2S.ClH/c19-16(10-13-12-21-9-7-17-13)18(14-4-1-2-5-14)11-15-6-3-8-20-15;/h13-15,17H,1-12H2;1H
InChIKeyPQOMPWQKAVANDW-UHFFFAOYSA-N
MW348.94 g/mol
LogP2.45
Rot. Bonds5

About N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939929) has the molecular formula C16H29ClN2O2S and a molecular weight of 348.94 g/mol. Its IUPAC name is N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939929
Molecular FormulaC16H29ClN2O2S
Molecular Weight348.94 g/mol
Exact Mass348.16
IUPAC NameN-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)N(CC1CCCO1)C1CCCC1
InChIInChI=1S/C16H28N2O2S.ClH/c19-16(10-13-12-21-9-7-17-13)18(14-4-1-2-5-14)11-15-6-3-8-20-15;/h13-15,17H,1-12H2;1H
InChIKeyPQOMPWQKAVANDW-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.94
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
CID 61029247
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
N-methyl-N-(oxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119746355
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide
CID 119938723
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
4-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)pentanamide;hydrochloride
CID 120563456
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66422861
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935274
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936367
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939929) is N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)N(CC1CCCO1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is PQOMPWQKAVANDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S.ClH/c19-16(10-13-12-21-9-7-17-13)18(14-4-1-2-5-14)11-15-6-3-8-20-15;/h13-15,17H,1-12H2;1H.
What are the key properties of N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 348.94 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).