2-methyl-3-[(sulfamoylamino)methyl]pentane

C7H18N2O2S — CID 155138019

IUPAC2-methyl-3-[(sulfamoylamino)methyl]pentane
SMILESCCC(CNS(N)(=O)=O)C(C)C
InChIInChI=1S/C7H18N2O2S/c1-4-7(6(2)3)5-9-12(8,10)11/h6-7,9H,4-5H2,1-3H3,(H2,8,10,11)
InChIKeyDWOFEAVSLVWIDF-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.46
Rot. Bonds5

About 2-methyl-3-[(sulfamoylamino)methyl]pentane

2-methyl-3-[(sulfamoylamino)methyl]pentane (PubChem CID 155138019) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methyl-3-[(sulfamoylamino)methyl]pentane.

Molecular Properties

Compound Name2-methyl-3-[(sulfamoylamino)methyl]pentane
PubChem CID155138019
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name2-methyl-3-[(sulfamoylamino)methyl]pentane
SMILESCCC(CNS(N)(=O)=O)C(C)C
InChIInChI=1S/C7H18N2O2S/c1-4-7(6(2)3)5-9-12(8,10)11/h6-7,9H,4-5H2,1-3H3,(H2,8,10,11)
InChIKeyDWOFEAVSLVWIDF-UHFFFAOYSA-N
XLogP0.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(sulfamoylamino)methyl]pentane?
The IUPAC name of 2-methyl-3-[(sulfamoylamino)methyl]pentane (CID 155138019) is 2-methyl-3-[(sulfamoylamino)methyl]pentane.
What is the SMILES notation for 2-methyl-3-[(sulfamoylamino)methyl]pentane?
The canonical SMILES for 2-methyl-3-[(sulfamoylamino)methyl]pentane is CCC(CNS(N)(=O)=O)C(C)C.
What is the InChIKey of 2-methyl-3-[(sulfamoylamino)methyl]pentane?
The InChIKey is DWOFEAVSLVWIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-7(6(2)3)5-9-12(8,10)11/h6-7,9H,4-5H2,1-3H3,(H2,8,10,11).
What are the key properties of 2-methyl-3-[(sulfamoylamino)methyl]pentane?
2-methyl-3-[(sulfamoylamino)methyl]pentane has a molecular weight of 194.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(sulfamoylamino)methyl]pentane is sourced from PubChem (CID 155138019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).