N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine

C10H21NO3S — CID 115855960

IUPACN-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine
SMILESCNC(C1CCOCC1)C(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(15(3,12)13)10(11-2)9-4-6-14-7-5-9/h8-11H,4-7H2,1-3H3
InChIKeyLCONCEIJQNRYMB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.43
Rot. Bonds4

About N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine

N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine (PubChem CID 115855960) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine
PubChem CID115855960
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine
SMILESCNC(C1CCOCC1)C(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO3S/c1-8(15(3,12)13)10(11-2)9-4-6-14-7-5-9/h8-11H,4-7H2,1-3H3
InChIKeyLCONCEIJQNRYMB-UHFFFAOYSA-N
XLogP0.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(methylamino)-3-(oxan-4-yl)propanoic acid
CID 116957433
3-methyl-2-[methylamino(oxan-4-yl)methyl]butan-1-ol
CID 116960198
4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
CID 65330243
N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine
CID 64675493
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine
CID 114982644
3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 103914964
N-(oxan-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 21034326
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine?
The IUPAC name of N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine (CID 115855960) is N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine is CNC(C1CCOCC1)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine?
The InChIKey is LCONCEIJQNRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(15(3,12)13)10(11-2)9-4-6-14-7-5-9/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine?
N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-1-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 115855960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).