N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide

C17H24N2O3S — CID 96568744

IUPACN-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
SMILESCc1ccc([C@H]2CSCCN2C(=O)CCCNC(=O)C2CC2)o1
InChIInChI=1S/C17H24N2O3S/c1-12-4-7-15(22-12)14-11-23-10-9-19(14)16(20)3-2-8-18-17(21)13-5-6-13/h4,7,13-14H,2-3,5-6,8-11H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyBZPSRKDDSXWGOW-CQSZACIVSA-N
MW336.46 g/mol
LogP2.51
Rot. Bonds6

About N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 96568744) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID96568744
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
SMILESCc1ccc([C@H]2CSCCN2C(=O)CCCNC(=O)C2CC2)o1
InChIInChI=1S/C17H24N2O3S/c1-12-4-7-15(22-12)14-11-23-10-9-19(14)16(20)3-2-8-18-17(21)13-5-6-13/h4,7,13-14H,2-3,5-6,8-11H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyBZPSRKDDSXWGOW-CQSZACIVSA-N
XLogP2.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide
CID 96517564
1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 96517758
[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea
CID 99619252
1-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 96568702
N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 97023940
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 119435923
N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166411128
N-[4-[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 52500706
N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide
CID 84593620
N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide
CID 167808884
1-(4-fluorophenyl)-4-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]butane-1,4-dione
CID 154748747
N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 46483004

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide (CID 96568744) is N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide is Cc1ccc([C@H]2CSCCN2C(=O)CCCNC(=O)C2CC2)o1.
What is the InChIKey of N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is BZPSRKDDSXWGOW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-4-7-15(22-12)14-11-23-10-9-19(14)16(20)3-2-8-18-17(21)13-5-6-13/h4,7,13-14H,2-3,5-6,8-11H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 96568744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).