N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine

C10H21NO2S2 — CID 114984200

IUPACN-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
SMILESCCNC(CCS(C)(=O)=O)C1CCSC1
InChIInChI=1S/C10H21NO2S2/c1-3-11-10(5-7-15(2,12)13)9-4-6-14-8-9/h9-11H,3-8H2,1-2H3
InChIKeyKZLIAXRSXFNQAY-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.15
Rot. Bonds6

About N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine

N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine (PubChem CID 114984200) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
PubChem CID114984200
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC NameN-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
SMILESCCNC(CCS(C)(=O)=O)C1CCSC1
InChIInChI=1S/C10H21NO2S2/c1-3-11-10(5-7-15(2,12)13)9-4-6-14-8-9/h9-11H,3-8H2,1-2H3
InChIKeyKZLIAXRSXFNQAY-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
CID 62601414
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107011890
N-ethyl-4-methylsulfonyl-1-(oxan-4-yl)butan-1-amine
CID 65334712
1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820297
2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132908
N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105078063
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105112949
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105157060
3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114193134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine (CID 114984200) is N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine is CCNC(CCS(C)(=O)=O)C1CCSC1.
What is the InChIKey of N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine?
The InChIKey is KZLIAXRSXFNQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-3-11-10(5-7-15(2,12)13)9-4-6-14-8-9/h9-11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine?
N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 114984200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).