N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide

C14H23NO4S — CID 79014602

IUPACN-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C14H23NO4S/c1-10(2)6-7-15(12-4-5-12)20(17,18)14-8-13(9-16)19-11(14)3/h8,10,12,16H,4-7,9H2,1-3H3
InChIKeyVPXOVGAUSWALAK-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.28
Rot. Bonds7

About N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide

N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide (PubChem CID 79014602) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
PubChem CID79014602
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C14H23NO4S/c1-10(2)6-7-15(12-4-5-12)20(17,18)14-8-13(9-16)19-11(14)3/h8,10,12,16H,4-7,9H2,1-3H3
InChIKeyVPXOVGAUSWALAK-UHFFFAOYSA-N
XLogP2.28
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 79014594
N-cyclopropyl-2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 79014588
5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61112746
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 80628244
N-(cyclobutylmethyl)-N-ethyl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107402674
2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 61113499
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989018
N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79187802
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
CID 81265308
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide
CID 79014699

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The IUPAC name of N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide (CID 79014602) is N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide is Cc1oc(CO)cc1S(=O)(=O)N(CCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The InChIKey is VPXOVGAUSWALAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-10(2)6-7-15(12-4-5-12)20(17,18)14-8-13(9-16)19-11(14)3/h8,10,12,16H,4-7,9H2,1-3H3.
What are the key properties of N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide is sourced from PubChem (CID 79014602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).