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

C15H26N2O3S — CID 106091261

IUPACN-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCc1oc(CNC(C)C)cc1S(=O)(=O)NC(C)(C)C1CC1
InChIInChI=1S/C15H26N2O3S/c1-10(2)16-9-13-8-14(11(3)20-13)21(18,19)17-15(4,5)12-6-7-12/h8,10,12,16-17H,6-7,9H2,1-5H3
InChIKeyXGMHXZKVYCPOKA-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.55
Rot. Bonds7

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

N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 106091261) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID106091261
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCc1oc(CNC(C)C)cc1S(=O)(=O)NC(C)(C)C1CC1
InChIInChI=1S/C15H26N2O3S/c1-10(2)16-9-13-8-14(11(3)20-13)21(18,19)17-15(4,5)12-6-7-12/h8,10,12,16-17H,6-7,9H2,1-5H3
InChIKeyXGMHXZKVYCPOKA-UHFFFAOYSA-N
XLogP2.55
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106079485
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106080730
N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 103465979
2-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106030088
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106093333
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106331726
N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106069381
5-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpentan-2-yl)furan-3-sulfonamide
CID 106079338
N-(cyclobutylmethyl)-2-methyl-5-(propylaminomethyl)furan-3-sulfonamide
CID 106025005
5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701683

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 106091261) is N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is Cc1oc(CNC(C)C)cc1S(=O)(=O)NC(C)(C)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is XGMHXZKVYCPOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-10(2)16-9-13-8-14(11(3)20-13)21(18,19)17-15(4,5)12-6-7-12/h8,10,12,16-17H,6-7,9H2,1-5H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106091261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).