1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane

C16H22N2OS — CID 166902751

IUPAC1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane
SMILESC/C=C\c1cccc(S(=O)N2CCCNC2)c1/C=C\C
InChIInChI=1S/C16H22N2OS/c1-3-7-14-9-5-10-16(15(14)8-4-2)20(19)18-12-6-11-17-13-18/h3-5,7-10,17H,6,11-13H2,1-2H3/b7-3-,8-4-
InChIKeyBIUABLRUWWMGLD-VHOZIDCHSA-N
MW290.43 g/mol
LogP3.03
Rot. Bonds4

About 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane

1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane (PubChem CID 166902751) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane.

Molecular Properties

Compound Name1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane
PubChem CID166902751
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane
SMILESC/C=C\c1cccc(S(=O)N2CCCNC2)c1/C=C\C
InChIInChI=1S/C16H22N2OS/c1-3-7-14-9-5-10-16(15(14)8-4-2)20(19)18-12-6-11-17-13-18/h3-5,7-10,17H,6,11-13H2,1-2H3/b7-3-,8-4-
InChIKeyBIUABLRUWWMGLD-VHOZIDCHSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one
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9-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 68578352
2-[4-(1,4-diazepan-1-yl)-3-prop-1-enylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87066848
1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine
CID 151229495
2,6-bis[(E)-prop-1-enyl]phenol
CID 21472692
2-(1,4-diazepan-1-yl)benzenesulfonic acid
CID 86209666
1-[2-(3-methylphenyl)sulfinylphenyl]piperazine
CID 151995054
3-(1,4-diazepan-1-ylsulfonyl)benzoic acid
CID 61405195
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
1-[3-(1,4-diazepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119963642
3-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylbenzenesulfonamide
CID 119963222

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane?
The IUPAC name of 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane (CID 166902751) is 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane.
What is the SMILES notation for 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane?
The canonical SMILES for 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane is C/C=C\c1cccc(S(=O)N2CCCNC2)c1/C=C\C.
What is the InChIKey of 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane?
The InChIKey is BIUABLRUWWMGLD-VHOZIDCHSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-7-14-9-5-10-16(15(14)8-4-2)20(19)18-12-6-11-17-13-18/h3-5,7-10,17H,6,11-13H2,1-2H3/b7-3-,8-4-.
What are the key properties of 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane?
1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane has a molecular weight of 290.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis[(Z)-prop-1-enyl]phenyl]sulfinyl-1,3-diazinane is sourced from PubChem (CID 166902751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).