1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine

C13H27NO2S — CID 115863401

IUPAC1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(CC1CCC1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-5-9-14-12(10-11-7-6-8-11)13(2,3)17(4,15)16/h11-12,14H,5-10H2,1-4H3
InChIKeyYVBPJUXSFJRZMT-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds7

About 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine

1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine (PubChem CID 115863401) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
PubChem CID115863401
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(CC1CCC1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-5-9-14-12(10-11-7-6-8-11)13(2,3)17(4,15)16/h11-12,14H,5-10H2,1-4H3
InChIKeyYVBPJUXSFJRZMT-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79196998
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105003374
2,5-dimethyl-2-methylsulfonyl-N-propyloctan-3-amine
CID 115845249
3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115692645
1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198161
1-cyclobutyl-3-methyl-3-morpholin-4-yl-N-propylpentan-2-amine
CID 79065646
1-(3,4-dimethylcyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 104989162
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 105019182
1-methylsulfonyl-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55093714

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine?
The IUPAC name of 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine (CID 115863401) is 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine is CCCNC(CC1CCC1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine?
The InChIKey is YVBPJUXSFJRZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-9-14-12(10-11-7-6-8-11)13(2,3)17(4,15)16/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine?
1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine is sourced from PubChem (CID 115863401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).