2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine

C9H19NO3S — CID 115856549

IUPAC2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine
SMILESCC(C)(C(N)C1CCOC1)S(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-9(2,14(3,11)12)8(10)7-4-5-13-6-7/h7-8H,4-6,10H2,1-3H3
InChIKeyLTQMYGRXJKVRNS-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.17
Rot. Bonds3

About 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine

2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine (PubChem CID 115856549) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine
PubChem CID115856549
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine
SMILESCC(C)(C(N)C1CCOC1)S(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-9(2,14(3,11)12)8(10)7-4-5-13-6-7/h7-8H,4-6,10H2,1-3H3
InChIKeyLTQMYGRXJKVRNS-UHFFFAOYSA-N
XLogP0.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2-methyl-1-(oxolan-3-yl)propan-1-amine
CID 116726248
N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine
CID 107138962
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine
CID 104753957
2-methyl-1-(oxan-4-yl)propane-1,2-diamine
CID 116932713
3-[1-(sulfamoylamino)ethyl]oxolane
CID 115650630
1-(oxolan-3-yl)propane-1-sulfonamide
CID 126976073
2-amino-2-methyl-1-(oxolan-3-yl)propan-1-ol
CID 66037864
2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
CID 107136542
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
2-(oxan-4-ylsulfonyl)-1-(oxolan-3-yl)ethanamine
CID 113449360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine (CID 115856549) is 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine is CC(C)(C(N)C1CCOC1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine?
The InChIKey is LTQMYGRXJKVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,14(3,11)12)8(10)7-4-5-13-6-7/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine?
2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 115856549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).