N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine

C12H25NO3S — CID 115848636

IUPACN-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
SMILESCNC(CCC1CCCCO1)CCS(C)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-13-11(8-10-17(2,14)15)6-7-12-5-3-4-9-16-12/h11-13H,3-10H2,1-2H3
InChIKeyLQAVDSAYMPHYGY-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds7

About N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine

N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine (PubChem CID 115848636) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
PubChem CID115848636
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
SMILESCNC(CCC1CCCCO1)CCS(C)(=O)=O
InChIInChI=1S/C12H25NO3S/c1-13-11(8-10-17(2,14)15)6-7-12-5-3-4-9-16-12/h11-13H,3-10H2,1-2H3
InChIKeyLQAVDSAYMPHYGY-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol
CID 114982933
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
2-(methylamino)-N-[2-(oxan-2-yl)ethyl]ethanesulfonamide
CID 106000159

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine?
The IUPAC name of N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine (CID 115848636) is N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine.
What is the SMILES notation for N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine?
The canonical SMILES for N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine is CNC(CCC1CCCCO1)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine?
The InChIKey is LQAVDSAYMPHYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-13-11(8-10-17(2,14)15)6-7-12-5-3-4-9-16-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine?
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine is sourced from PubChem (CID 115848636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).