N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide

C14H21NO3S — CID 99828595

IUPACN-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide
SMILESCc1occc1[S@@](=O)CC(=O)NCC1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-11-13(7-8-18-11)19(17)10-14(16)15-9-12-5-3-2-4-6-12/h7-8,12H,2-6,9-10H2,1H3,(H,15,16)/t19-/m0/s1
InChIKeyPRGIHTFMXSWLFC-IBGZPJMESA-N
MW283.39 g/mol
LogP2.39
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide

N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide (PubChem CID 99828595) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide
PubChem CID99828595
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide
SMILESCc1occc1[S@@](=O)CC(=O)NCC1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-11-13(7-8-18-11)19(17)10-14(16)15-9-12-5-3-2-4-6-12/h7-8,12H,2-6,9-10H2,1H3,(H,15,16)/t19-/m0/s1
InChIKeyPRGIHTFMXSWLFC-IBGZPJMESA-N
XLogP2.39
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
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N-(cycloheptylmethyl)-2-phenylacetamide
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1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 97035488
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
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2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
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CID 83278373

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide (CID 99828595) is N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide is Cc1occc1[S@@](=O)CC(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide?
The InChIKey is PRGIHTFMXSWLFC-IBGZPJMESA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-13(7-8-18-11)19(17)10-14(16)15-9-12-5-3-2-4-6-12/h7-8,12H,2-6,9-10H2,1H3,(H,15,16)/t19-/m0/s1.
What are the key properties of N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide?
N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide has a molecular weight of 283.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(S)-(2-methylfuran-3-yl)sulfinyl]acetamide is sourced from PubChem (CID 99828595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).