2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

C14H26N2O3S — CID 106030088

IUPAC2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCc1oc(CNC(C)C)cc1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C14H26N2O3S/c1-9(2)11(5)16-20(17,18)14-7-13(19-12(14)6)8-15-10(3)4/h7,9-11,15-16H,8H2,1-6H3
InChIKeyPJCRGUYJASSKPX-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.41
Rot. Bonds7

About 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 106030088) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID106030088
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCc1oc(CNC(C)C)cc1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C14H26N2O3S/c1-9(2)11(5)16-20(17,18)14-7-13(19-12(14)6)8-15-10(3)4/h7,9-11,15-16H,8H2,1-6H3
InChIKeyPJCRGUYJASSKPX-UHFFFAOYSA-N
XLogP2.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 103465979
2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106079485
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106091261
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106080730
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106093333
N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106069381
2-bromo-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106029847
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106080199
2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
CID 106056501
2-bromo-N-(4-methylpentyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106017116
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 106030088) is 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is Cc1oc(CNC(C)C)cc1S(=O)(=O)NC(C)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is PJCRGUYJASSKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-9(2)11(5)16-20(17,18)14-7-13(19-12(14)6)8-15-10(3)4/h7,9-11,15-16H,8H2,1-6H3.
What are the key properties of 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106030088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).