N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide

C16H32N4O2S — CID 118241958

IUPACN-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide
SMILESCCCC(CC(C)(CC)N(C)S(C)(=O)=O)c1cnnn1C(C)C
InChIInChI=1S/C16H32N4O2S/c1-8-10-14(15-12-17-18-20(15)13(3)4)11-16(5,9-2)19(6)23(7,21)22/h12-14H,8-11H2,1-7H3
InChIKeyLHDRBZMNSKAGIG-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.19
Rot. Bonds9

About N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide

N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide (PubChem CID 118241958) has the molecular formula C16H32N4O2S and a molecular weight of 344.53 g/mol. Its IUPAC name is N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide
PubChem CID118241958
Molecular FormulaC16H32N4O2S
Molecular Weight344.53 g/mol
Exact Mass344.22
IUPAC NameN-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide
SMILESCCCC(CC(C)(CC)N(C)S(C)(=O)=O)c1cnnn1C(C)C
InChIInChI=1S/C16H32N4O2S/c1-8-10-14(15-12-17-18-20(15)13(3)4)11-16(5,9-2)19(6)23(7,21)22/h12-14H,8-11H2,1-7H3
InChIKeyLHDRBZMNSKAGIG-UHFFFAOYSA-N
XLogP3.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide (CID 118241958) is N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide is CCCC(CC(C)(CC)N(C)S(C)(=O)=O)c1cnnn1C(C)C.
What is the InChIKey of N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide?
The InChIKey is LHDRBZMNSKAGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2S/c1-8-10-14(15-12-17-18-20(15)13(3)4)11-16(5,9-2)19(6)23(7,21)22/h12-14H,8-11H2,1-7H3.
What are the key properties of N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide?
N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide has a molecular weight of 344.53 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide is sourced from PubChem (CID 118241958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).