N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine

C14H29NO2S — CID 106735451

IUPACN-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-11(2)15-10-13-7-6-12(13)8-9-18(16,17)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeySHCLNKRKYZJGFR-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.61
Rot. Bonds6

About N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine

N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 106735451) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
PubChem CID106735451
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-11(2)15-10-13-7-6-12(13)8-9-18(16,17)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeySHCLNKRKYZJGFR-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
CID 97070215
3-Cyclobutyl-1lambda6-thiomorpholine-1,1-dione
CID 105443920
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
CID 128860817
(3S)-N-(3-tert-butylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 164634032
3-(1,1-dioxothian-3-yl)-3-fluoro-N-methylbutan-1-amine
CID 105499495
3-(2-Fluoro-4-propylsulfonylbutan-2-yl)piperidine
CID 106735922
3-(4-Tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine
CID 106735923
3-(4-Ethylsulfonyl-2-fluorobutan-2-yl)piperidine
CID 106735924
3-(2-Fluoro-4-propan-2-ylsulfonylbutan-2-yl)piperidine
CID 113871350

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine (CID 106735451) is N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is SHCLNKRKYZJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-11(2)15-10-13-7-6-12(13)8-9-18(16,17)14(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 275.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 106735451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).