N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine

C14H31NO3S — CID 146183949

IUPACN-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCS(=O)(=O)CCCOCC(C)(C)C
InChIInChI=1S/C14H31NO3S/c1-13(2)11-15-7-10-19(16,17)9-6-8-18-12-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyPGIVZCFRPOUTDV-UHFFFAOYSA-N
MW293.47 g/mol
LogP2.10
Rot. Bonds10

About N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine

N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine (PubChem CID 146183949) has the molecular formula C14H31NO3S and a molecular weight of 293.47 g/mol. Its IUPAC name is N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine
PubChem CID146183949
Molecular FormulaC14H31NO3S
Molecular Weight293.47 g/mol
Exact Mass293.20
IUPAC NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCS(=O)(=O)CCCOCC(C)(C)C
InChIInChI=1S/C14H31NO3S/c1-13(2)11-15-7-10-19(16,17)9-6-8-18-12-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyPGIVZCFRPOUTDV-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106513393
N-ethyl-3-(2-methylpropylsulfonyl)propan-1-amine
CID 64645032
N-[2-(3-methoxypropylsulfonyl)ethyl]-2-methylpropan-2-amine
CID 64673484
2-(3-methoxypropylsulfonyl)-N-methylethanamine
CID 64674862
N-ethyl-3-[3-[trimethyl(oxo)-lambda6-sulfanyl]propoxy]propan-1-amine
CID 117718029
2-methyl-N-[2-[3-(3-methylbutan-2-yloxy)propylsulfonyl]ethyl]propan-1-amine
CID 126620091
2-(3-ethoxypropylsulfinyl)-N-methylethanamine
CID 126620188
2-(3-ethoxypropylsulfonyl)-N-methylethanamine
CID 126620189
N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine
CID 126654305
N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-2-amine
CID 126654306
2-methyl-N-[2-[3-(3-methylbutoxy)propylsulfonyl]ethyl]propan-2-amine
CID 132135464
N-[2-[1-(2-tert-butylsulfonylethoxy)-2-methylpropan-2-yl]sulfonylethyl]-2-cyclopropylsulfonyl-2-methylpropan-1-amine
CID 132226664

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine (CID 146183949) is N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine is CC(C)CNCCS(=O)(=O)CCCOCC(C)(C)C.
What is the InChIKey of N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine?
The InChIKey is PGIVZCFRPOUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3S/c1-13(2)11-15-7-10-19(16,17)9-6-8-18-12-14(3,4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine?
N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine has a molecular weight of 293.47 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 146183949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).