N,N-bis(prop-2-enyl)methanesulfinamide

C7H13NOS — CID 87785098

IUPACN,N-bis(prop-2-enyl)methanesulfinamide
SMILESC=CCN(CC=C)S(C)=O
InChIInChI=1S/C7H13NOS/c1-4-6-8(7-5-2)10(3)9/h4-5H,1-2,6-7H2,3H3
InChIKeyQUZLRMIOFYDEBP-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.95
Rot. Bonds5

About N,N-bis(prop-2-enyl)methanesulfinamide

N,N-bis(prop-2-enyl)methanesulfinamide (PubChem CID 87785098) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)methanesulfinamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)methanesulfinamide
PubChem CID87785098
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC NameN,N-bis(prop-2-enyl)methanesulfinamide
SMILESC=CCN(CC=C)S(C)=O
InChIInChI=1S/C7H13NOS/c1-4-6-8(7-5-2)10(3)9/h4-5H,1-2,6-7H2,3H3
InChIKeyQUZLRMIOFYDEBP-UHFFFAOYSA-N
XLogP0.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)methanesulfinamide?
The IUPAC name of N,N-bis(prop-2-enyl)methanesulfinamide (CID 87785098) is N,N-bis(prop-2-enyl)methanesulfinamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)methanesulfinamide?
The canonical SMILES for N,N-bis(prop-2-enyl)methanesulfinamide is C=CCN(CC=C)S(C)=O.
What is the InChIKey of N,N-bis(prop-2-enyl)methanesulfinamide?
The InChIKey is QUZLRMIOFYDEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4-6-8(7-5-2)10(3)9/h4-5H,1-2,6-7H2,3H3.
What are the key properties of N,N-bis(prop-2-enyl)methanesulfinamide?
N,N-bis(prop-2-enyl)methanesulfinamide has a molecular weight of 159.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)methanesulfinamide is sourced from PubChem (CID 87785098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).