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

C13H30N2O2S — CID 118241680

IUPACN-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CNC(C)C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H30N2O2S/c1-7-8-12(10-14-11(2)3)9-13(4,5)15-18(6,16)17/h11-12,14-15H,7-10H2,1-6H3
InChIKeyMTAZPUWQPSQMFQ-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.12
Rot. Bonds9

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

N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241680) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide
PubChem CID118241680
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC NameN-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CNC(C)C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H30N2O2S/c1-7-8-12(10-14-11(2)3)9-13(4,5)15-18(6,16)17/h11-12,14-15H,7-10H2,1-6H3
InChIKeyMTAZPUWQPSQMFQ-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide (CID 118241680) is N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide is CCCC(CNC(C)C)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide?
The InChIKey is MTAZPUWQPSQMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-7-8-12(10-14-11(2)3)9-13(4,5)15-18(6,16)17/h11-12,14-15H,7-10H2,1-6H3.
What are the key properties of N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide?
N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide has a molecular weight of 278.46 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).