N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide

C15H25N5O3S — CID 70749911

IUPACN-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide
SMILESCC(C)n1cnnc1CN(C)Cc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C15H25N5O3S/c1-12(2)20-11-16-17-15(20)10-18(3)8-13-6-7-14(23-13)9-19(4)24(5,21)22/h6-7,11-12H,8-10H2,1-5H3
InChIKeyJYCRBSZXZLDIIP-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.48
Rot. Bonds8

About N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide

N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide (PubChem CID 70749911) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide
PubChem CID70749911
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide
SMILESCC(C)n1cnnc1CN(C)Cc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C15H25N5O3S/c1-12(2)20-11-16-17-15(20)10-18(3)8-13-6-7-14(23-13)9-19(4)24(5,21)22/h6-7,11-12H,8-10H2,1-5H3
InChIKeyJYCRBSZXZLDIIP-UHFFFAOYSA-N
XLogP1.48
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide (CID 70749911) is N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide is CC(C)n1cnnc1CN(C)Cc1ccc(CN(C)S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide?
The InChIKey is JYCRBSZXZLDIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-12(2)20-11-16-17-15(20)10-18(3)8-13-6-7-14(23-13)9-19(4)24(5,21)22/h6-7,11-12H,8-10H2,1-5H3.
What are the key properties of N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide?
N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]furan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70749911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).