N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C8H27NO6P2S2 — CID 173447150

IUPACN-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC=CC.CCC.CNC.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C3H8.C3H6.C2H7N.2H3O3PS/c3*1-3-2;2*1-4(2,3)5/h3H2,1-2H3;3H,1H2,2H3;3H,1-2H3;2*(H3,1,2,3,5)
InChIKeyHDVRMMHZJFQXHU-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.82
Rot. Bonds

About N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173447150) has the molecular formula C8H27NO6P2S2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound NameN-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173447150
Molecular FormulaC8H27NO6P2S2
Molecular Weight359.39 g/mol
Exact Mass359.08
IUPAC NameN-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC=CC.CCC.CNC.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C3H8.C3H6.C2H7N.2H3O3PS/c3*1-3-2;2*1-4(2,3)5/h3H2,1-2H3;3H,1H2,2H3;3H,1-2H3;2*(H3,1,2,3,5)
InChIKeyHDVRMMHZJFQXHU-UHFFFAOYSA-N
XLogP0.82
TPSA133.41 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 50.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173442246
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467
ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173415046
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
propane;propan-2-one;prop-1-ene
CID 160807834
butane;ethane;propane;prop-1-ene
CID 143366707
phosphoric acid;prop-1-ene
CID 175586036
prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87783946
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174630751

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173447150) is N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is C=CC.CCC.CNC.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is HDVRMMHZJFQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C3H6.C2H7N.2H3O3PS/c3*1-3-2;2*1-4(2,3)5/h3H2,1-2H3;3H,1H2,2H3;3H,1-2H3;2*(H3,1,2,3,5).
What are the key properties of N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 359.39 g/mol, XLogP of 0.82, 0 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173447150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).