cyclopropylmethanamine;sulfur trioxide

C4H9NO3S — CID 161413238

IUPACcyclopropylmethanamine;sulfur trioxide
SMILESNCC1CC1.O=S(=O)=O
InChIInChI=1S/C4H9N.O3S/c5-3-4-1-2-4;1-4(2)3/h4H,1-3,5H2;
InChIKeyVVTCPMOUCDSAHL-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.65
Rot. Bonds1

About cyclopropylmethanamine;sulfur trioxide

cyclopropylmethanamine;sulfur trioxide (PubChem CID 161413238) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is cyclopropylmethanamine;sulfur trioxide.

Molecular Properties

Compound Namecyclopropylmethanamine;sulfur trioxide
PubChem CID161413238
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Namecyclopropylmethanamine;sulfur trioxide
SMILESNCC1CC1.O=S(=O)=O
InChIInChI=1S/C4H9N.O3S/c5-3-4-1-2-4;1-4(2)3/h4H,1-3,5H2;
InChIKeyVVTCPMOUCDSAHL-UHFFFAOYSA-N
XLogP-0.65
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanamine;sulfur trioxide?
The IUPAC name of cyclopropylmethanamine;sulfur trioxide (CID 161413238) is cyclopropylmethanamine;sulfur trioxide.
What is the SMILES notation for cyclopropylmethanamine;sulfur trioxide?
The canonical SMILES for cyclopropylmethanamine;sulfur trioxide is NCC1CC1.O=S(=O)=O.
What is the InChIKey of cyclopropylmethanamine;sulfur trioxide?
The InChIKey is VVTCPMOUCDSAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.O3S/c5-3-4-1-2-4;1-4(2)3/h4H,1-3,5H2;.
What are the key properties of cyclopropylmethanamine;sulfur trioxide?
cyclopropylmethanamine;sulfur trioxide has a molecular weight of 151.19 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanamine;sulfur trioxide is sourced from PubChem (CID 161413238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).