N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide

C16H18N2O3S — CID 97038547

IUPACN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC[C@](O)(c1ccco1)C1CC1
InChIInChI=1S/C16H18N2O3S/c1-22-15-12(4-2-8-17-15)14(19)18-10-16(20,11-6-7-11)13-5-3-9-21-13/h2-5,8-9,11,20H,6-7,10H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyRJFPNROGELCLSV-MRXNPFEDSA-N
MW318.40 g/mol
LogP2.42
Rot. Bonds6

About N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 97038547) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID97038547
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC[C@](O)(c1ccco1)C1CC1
InChIInChI=1S/C16H18N2O3S/c1-22-15-12(4-2-8-17-15)14(19)18-10-16(20,11-6-7-11)13-5-3-9-21-13/h2-5,8-9,11,20H,6-7,10H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyRJFPNROGELCLSV-MRXNPFEDSA-N
XLogP2.42
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 97038547) is N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC[C@](O)(c1ccco1)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is RJFPNROGELCLSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-22-15-12(4-2-8-17-15)14(19)18-10-16(20,11-6-7-11)13-5-3-9-21-13/h2-5,8-9,11,20H,6-7,10H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 97038547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).