N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

C13H20N4O3S — CID 106069381

IUPACN-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCc1oc(CNC(C)C)cc1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C13H20N4O3S/c1-9(2)16-7-11-6-12(10(3)20-11)21(18,19)17-8-13-14-4-5-15-13/h4-6,9,16-17H,7-8H2,1-3H3,(H,14,15)
InChIKeyRLZKOCRRDGTCGY-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.29
Rot. Bonds7

About N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 106069381) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID106069381
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCc1oc(CNC(C)C)cc1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C13H20N4O3S/c1-9(2)16-7-11-6-12(10(3)20-11)21(18,19)17-8-13-14-4-5-15-13/h4-6,9,16-17H,7-8H2,1-3H3,(H,14,15)
InChIKeyRLZKOCRRDGTCGY-UHFFFAOYSA-N
XLogP1.29
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylfuran-3-sulfonamide
CID 106085167
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
N-(1H-imidazol-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106069346
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106093333
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64531136
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-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
5-(aminomethyl)-3-bromo-N-(1H-imidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106069335
3-amino-N-(1H-imidazol-2-ylmethyl)-5-methylbenzenesulfonamide
CID 64519368

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 106069381) is N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is Cc1oc(CNC(C)C)cc1S(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is RLZKOCRRDGTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9(2)16-7-11-6-12(10(3)20-11)21(18,19)17-8-13-14-4-5-15-13/h4-6,9,16-17H,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106069381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).