4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine

C14H29NO2S2 — CID 105152690

IUPAC4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C1(C)CCCS1
InChIInChI=1S/C14H29NO2S2/c1-4-10-15-13(14(3)9-7-11-18-14)8-6-12-19(16,17)5-2/h13,15H,4-12H2,1-3H3
InChIKeyRFBNGJKUPJPFLD-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.86
Rot. Bonds9

About 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine

4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine (PubChem CID 105152690) has the molecular formula C14H29NO2S2 and a molecular weight of 307.53 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
PubChem CID105152690
Molecular FormulaC14H29NO2S2
Molecular Weight307.53 g/mol
Exact Mass307.16
IUPAC Name4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C1(C)CCCS1
InChIInChI=1S/C14H29NO2S2/c1-4-10-15-13(14(3)9-7-11-18-14)8-6-12-19(16,17)5-2/h13,15H,4-12H2,1-3H3
InChIKeyRFBNGJKUPJPFLD-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butyl]hydrazine
CID 105310945
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
1-(2-methylthiolan-2-yl)-N-propylhex-4-yn-1-amine
CID 105181599
N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105152948
N-methyl-1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129851
N-[2-(2,4-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105117632
N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
CID 105182489
5-ethylsulfonyl-1,1-dimethoxy-N-propylpentan-2-amine
CID 79493276
1-(1-methoxycycloheptyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 116770476
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105181053
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
N-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105157626

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine (CID 105152690) is 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)C1(C)CCCS1.
What is the InChIKey of 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is RFBNGJKUPJPFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S2/c1-4-10-15-13(14(3)9-7-11-18-14)8-6-12-19(16,17)5-2/h13,15H,4-12H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine?
4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 307.53 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105152690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).