3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine

C12H27NO2S — CID 104578148

IUPAC3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
SMILESCCC(CC)C(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-12(7-2)11(5)13-8-9-16(14,15)10(3)4/h10-13H,6-9H2,1-5H3
InChIKeyMHIFYPUEFPDNOG-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.22
Rot. Bonds8

About 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine

3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine (PubChem CID 104578148) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
PubChem CID104578148
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
SMILESCCC(CC)C(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H27NO2S/c1-6-12(7-2)11(5)13-8-9-16(14,15)10(3)4/h10-13H,6-9H2,1-5H3
InChIKeyMHIFYPUEFPDNOG-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 104578137
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106724509
1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
CID 106723563
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 106731016
N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine
CID 106724402
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-(3-ethylpentan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55261735
4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
CID 106727471

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine?
The IUPAC name of 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine (CID 104578148) is 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine?
The canonical SMILES for 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine is CCC(CC)C(C)NCCS(=O)(=O)C(C)C.
What is the InChIKey of 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine?
The InChIKey is MHIFYPUEFPDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-12(7-2)11(5)13-8-9-16(14,15)10(3)4/h10-13H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine?
3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine is sourced from PubChem (CID 104578148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).