ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine

C8H21N3O2S — CID 144551907

IUPACethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
SMILESCC.CC1CNC(CNS(N)(=O)=O)C1
InChIInChI=1S/C6H15N3O2S.C2H6/c1-5-2-6(8-3-5)4-9-12(7,10)11;1-2/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11);1-2H3
InChIKeyNODSTXGVYJEJDN-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.20
Rot. Bonds3

About ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine

ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine (PubChem CID 144551907) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine.

Molecular Properties

Compound Nameethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
PubChem CID144551907
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Nameethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
SMILESCC.CC1CNC(CNS(N)(=O)=O)C1
InChIInChI=1S/C6H15N3O2S.C2H6/c1-5-2-6(8-3-5)4-9-12(7,10)11;1-2/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11);1-2H3
InChIKeyNODSTXGVYJEJDN-UHFFFAOYSA-N
XLogP-0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine?
The IUPAC name of ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine (CID 144551907) is ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine.
What is the SMILES notation for ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine?
The canonical SMILES for ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine is CC.CC1CNC(CNS(N)(=O)=O)C1.
What is the InChIKey of ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine?
The InChIKey is NODSTXGVYJEJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S.C2H6/c1-5-2-6(8-3-5)4-9-12(7,10)11;1-2/h5-6,8-9H,2-4H2,1H3,(H2,7,10,11);1-2H3.
What are the key properties of ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine?
ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine has a molecular weight of 223.34 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine is sourced from PubChem (CID 144551907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).