N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide

C15H30N4O2S — CID 118241694

IUPACN-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide
SMILESCCCC(CC(C)(C)N(C)S(C)(=O)=O)c1cnnn1C(C)C
InChIInChI=1S/C15H30N4O2S/c1-8-9-13(14-11-16-17-19(14)12(2)3)10-15(4,5)18(6)22(7,20)21/h11-13H,8-10H2,1-7H3
InChIKeyLHKGXNGFQAMTQV-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.80
Rot. Bonds8

About N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide

N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide (PubChem CID 118241694) has the molecular formula C15H30N4O2S and a molecular weight of 330.50 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide
PubChem CID118241694
Molecular FormulaC15H30N4O2S
Molecular Weight330.50 g/mol
Exact Mass330.21
IUPAC NameN-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide
SMILESCCCC(CC(C)(C)N(C)S(C)(=O)=O)c1cnnn1C(C)C
InChIInChI=1S/C15H30N4O2S/c1-8-9-13(14-11-16-17-19(14)12(2)3)10-15(4,5)18(6)22(7,20)21/h11-13H,8-10H2,1-7H3
InChIKeyLHKGXNGFQAMTQV-UHFFFAOYSA-N
XLogP2.80
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide (CID 118241694) is N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide is CCCC(CC(C)(C)N(C)S(C)(=O)=O)c1cnnn1C(C)C.
What is the InChIKey of N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide?
The InChIKey is LHKGXNGFQAMTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2S/c1-8-9-13(14-11-16-17-19(14)12(2)3)10-15(4,5)18(6)22(7,20)21/h11-13H,8-10H2,1-7H3.
What are the key properties of N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide has a molecular weight of 330.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).