3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine

C11H25NO4S — CID 81092736

IUPAC3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
SMILESCCOC(CCNC(C)CS(C)(=O)=O)OCC
InChIInChI=1S/C11H25NO4S/c1-5-15-11(16-6-2)7-8-12-10(3)9-17(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyYRYJTMHHQODUHC-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.80
Rot. Bonds10

About 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine

3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine (PubChem CID 81092736) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
PubChem CID81092736
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
SMILESCCOC(CCNC(C)CS(C)(=O)=O)OCC
InChIInChI=1S/C11H25NO4S/c1-5-15-11(16-6-2)7-8-12-10(3)9-17(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyYRYJTMHHQODUHC-UHFFFAOYSA-N
XLogP0.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.80
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

1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 64631820
3,3-diethoxy-N-(2-methylsulfonylethyl)propan-1-amine
CID 81095221
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
ethyl N-[2-(1-methylsulfonylpropan-2-ylamino)ethyl]carbamate
CID 115901299
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
2-(3,3-diethoxypropylamino)propanamide
CID 81095052
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
2-(3,3-diethoxypropylamino)-N-propan-2-ylpropanamide
CID 113406943
2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 103914602
methyl 4-(1-methylsulfonylpropan-2-ylamino)butanoate
CID 64629341

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine?
The IUPAC name of 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine (CID 81092736) is 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine is CCOC(CCNC(C)CS(C)(=O)=O)OCC.
What is the InChIKey of 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine?
The InChIKey is YRYJTMHHQODUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-5-15-11(16-6-2)7-8-12-10(3)9-17(4,13)14/h10-12H,5-9H2,1-4H3.
What are the key properties of 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine?
3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 0.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 81092736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).