1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine

C9H21NO4S — CID 64631589

IUPAC1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine
SMILESCOC(OC)C(C)NC(C)CS(C)(=O)=O
InChIInChI=1S/C9H21NO4S/c1-7(6-15(5,11)12)10-8(2)9(13-3)14-4/h7-10H,6H2,1-5H3
InChIKeyGKAZEEQJUSZLIF-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.02
Rot. Bonds7

About 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine

1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine (PubChem CID 64631589) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine
PubChem CID64631589
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine
SMILESCOC(OC)C(C)NC(C)CS(C)(=O)=O
InChIInChI=1S/C9H21NO4S/c1-7(6-15(5,11)12)10-8(2)9(13-3)14-4/h7-10H,6H2,1-5H3
InChIKeyGKAZEEQJUSZLIF-UHFFFAOYSA-N
XLogP0.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375
N-(1-methylsulfonylpropan-2-yl)hydroxylamine
CID 82686077
3-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64642625
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 64631820
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
1-N,1-N,3-trimethyl-2-N-(1-methylsulfonylpropan-2-yl)butane-1,2-diamine
CID 64630157
N-(1-methylsulfonylpropan-2-yl)but-2-yn-1-amine
CID 64629603
2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 64628962
N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
CID 64629394
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629515

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine (CID 64631589) is 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine is COC(OC)C(C)NC(C)CS(C)(=O)=O.
What is the InChIKey of 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine?
The InChIKey is GKAZEEQJUSZLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-7(6-15(5,11)12)10-8(2)9(13-3)14-4/h7-10H,6H2,1-5H3.
What are the key properties of 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine?
1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine has a molecular weight of 239.34 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-(1-methylsulfonylpropan-2-yl)propan-2-amine is sourced from PubChem (CID 64631589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).