3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine

C12H27NO3S — CID 114097748

IUPAC3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
SMILESCC(C)COCCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H27NO3S/c1-11(2)10-16-8-5-6-13-7-9-17(14,15)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyWZJBVGTXKGVPLT-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.46
Rot. Bonds10

About 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine

3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine (PubChem CID 114097748) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
PubChem CID114097748
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
SMILESCC(C)COCCCNCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H27NO3S/c1-11(2)10-16-8-5-6-13-7-9-17(14,15)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyWZJBVGTXKGVPLT-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.46
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

3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
CID 103605804
2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide
CID 107651702
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine?
The IUPAC name of 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine (CID 114097748) is 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine is CC(C)COCCCNCCS(=O)(=O)C(C)C.
What is the InChIKey of 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine?
The InChIKey is WZJBVGTXKGVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-11(2)10-16-8-5-6-13-7-9-17(14,15)12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine?
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 114097748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).