N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

C16H24N4O3S — CID 164641808

IUPACN,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)N(C)C[C@H]1CCCCN1C
InChIInChI=1S/C16H24N4O3S/c1-12-16(10-15(23-12)14-7-8-17-18-14)24(21,22)20(3)11-13-6-4-5-9-19(13)2/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyFXXFGHKQYGUDRV-CYBMUJFWSA-N
MW352.46 g/mol
LogP2.08
Rot. Bonds5

About N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 164641808) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID164641808
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)N(C)C[C@H]1CCCCN1C
InChIInChI=1S/C16H24N4O3S/c1-12-16(10-15(23-12)14-7-8-17-18-14)24(21,22)20(3)11-13-6-4-5-9-19(13)2/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyFXXFGHKQYGUDRV-CYBMUJFWSA-N
XLogP2.08
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 164641808) is N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)N(C)C[C@H]1CCCCN1C.
What is the InChIKey of N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is FXXFGHKQYGUDRV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-12-16(10-15(23-12)14-7-8-17-18-14)24(21,22)20(3)11-13-6-4-5-9-19(13)2/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 164641808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).