[(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine

C9H20N2O2S — CID 28707015

IUPAC[(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine
SMILESCCCCS(=O)(=O)N1CCC[C@H]1CN
InChIInChI=1S/C9H20N2O2S/c1-2-3-7-14(12,13)11-6-4-5-9(11)8-10/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyDTOQLDCLNFCDPN-VIFPVBQESA-N
MW220.34 g/mol
LogP0.54
Rot. Bonds5

About [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine

[(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine (PubChem CID 28707015) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine
PubChem CID28707015
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name[(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine
SMILESCCCCS(=O)(=O)N1CCC[C@H]1CN
InChIInChI=1S/C9H20N2O2S/c1-2-3-7-14(12,13)11-6-4-5-9(11)8-10/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyDTOQLDCLNFCDPN-VIFPVBQESA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine (CID 28707015) is [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine is CCCCS(=O)(=O)N1CCC[C@H]1CN.
What is the InChIKey of [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is DTOQLDCLNFCDPN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-3-7-14(12,13)11-6-4-5-9(11)8-10/h9H,2-8,10H2,1H3/t9-/m0/s1.
What are the key properties of [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine?
[(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 220.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 28707015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).