N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide

C16H28N2O3S — CID 124508288

IUPACN-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide
SMILESO=C(CC1(N2CCOCC2)CCCC1)NC[C@@]1(O)CCSC1
InChIInChI=1S/C16H28N2O3S/c19-14(17-12-16(20)5-10-22-13-16)11-15(3-1-2-4-15)18-6-8-21-9-7-18/h20H,1-13H2,(H,17,19)/t16-/m0/s1
InChIKeyMBOMEEMECORQER-INIZCTEOSA-N
MW328.48 g/mol
LogP1.01
Rot. Bonds5

About N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide

N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide (PubChem CID 124508288) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide
PubChem CID124508288
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide
SMILESO=C(CC1(N2CCOCC2)CCCC1)NC[C@@]1(O)CCSC1
InChIInChI=1S/C16H28N2O3S/c19-14(17-12-16(20)5-10-22-13-16)11-15(3-1-2-4-15)18-6-8-21-9-7-18/h20H,1-13H2,(H,17,19)/t16-/m0/s1
InChIKeyMBOMEEMECORQER-INIZCTEOSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide
CID 120595904
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55479308
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
2-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]propanoic acid
CID 119348520
(2R)-2-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]propanoic acid
CID 119369700
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130546

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide?
The IUPAC name of N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide (CID 124508288) is N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide.
What is the SMILES notation for N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide?
The canonical SMILES for N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide is O=C(CC1(N2CCOCC2)CCCC1)NC[C@@]1(O)CCSC1.
What is the InChIKey of N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide?
The InChIKey is MBOMEEMECORQER-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N2O3S/c19-14(17-12-16(20)5-10-22-13-16)11-15(3-1-2-4-15)18-6-8-21-9-7-18/h20H,1-13H2,(H,17,19)/t16-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide?
N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide has a molecular weight of 328.48 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2-(1-morpholin-4-ylcyclopentyl)acetamide is sourced from PubChem (CID 124508288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).