2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C10H22N2O2S — CID 104519156

IUPAC2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCC(CNCCN1CCCC1)S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-10(15(2,13)14)9-11-5-8-12-6-3-4-7-12/h10-11H,3-9H2,1-2H3
InChIKeyNYNAIXFGMMXLDR-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.10
Rot. Bonds6

About 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 104519156) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID104519156
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCC(CNCCN1CCCC1)S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-10(15(2,13)14)9-11-5-8-12-6-3-4-7-12/h10-11H,3-9H2,1-2H3
InChIKeyNYNAIXFGMMXLDR-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 113422063
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 107441168
methyl (2S)-2-methyl-3-(2-piperidin-1-ylethylamino)propanoate
CID 94133680
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine
CID 104519219
N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 107911579
methyl 2-chloro-3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 107914054
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 104519156) is 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is CC(CNCCN1CCCC1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is NYNAIXFGMMXLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(15(2,13)14)9-11-5-8-12-6-3-4-7-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 234.36 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 104519156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).