N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide

C12H13NOS — CID 134443217

IUPACN-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide
SMILESCS(=O)N=c1cccccccccc1
InChIInChI=1S/C12H13NOS/c1-15(14)13-12-10-8-6-4-2-3-5-7-9-11-12/h2-11H,1H3/b3-2-,6-4-,7-5-,10-8-,11-9-
InChIKeyKQJAIBDPKKORQQ-SMPPVMTASA-N
MW219.31 g/mol
LogP2.01
Rot. Bonds1

About N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide

N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide (PubChem CID 134443217) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide.

Molecular Properties

Compound NameN-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide
PubChem CID134443217
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide
SMILESCS(=O)N=c1cccccccccc1
InChIInChI=1S/C12H13NOS/c1-15(14)13-12-10-8-6-4-2-3-5-7-9-11-12/h2-11H,1H3/b3-2-,6-4-,7-5-,10-8-,11-9-
InChIKeyKQJAIBDPKKORQQ-SMPPVMTASA-N
XLogP2.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide?
The IUPAC name of N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide (CID 134443217) is N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide.
What is the SMILES notation for N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide?
The canonical SMILES for N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide is CS(=O)N=c1cccccccccc1.
What is the InChIKey of N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide?
The InChIKey is KQJAIBDPKKORQQ-SMPPVMTASA-N. The full InChI is InChI=1S/C12H13NOS/c1-15(14)13-12-10-8-6-4-2-3-5-7-9-11-12/h2-11H,1H3/b3-2-,6-4-,7-5-,10-8-,11-9-.
What are the key properties of N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide?
N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide has a molecular weight of 219.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide is sourced from PubChem (CID 134443217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).